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Acylaminobenzoic acid and derivatives

Organic compounds that consist of a benzoic acid with an acylamino substitution; an acylamino substitution consists of a carbon atom bonded to a carbonyl group that is bonded to a nitrogen atom bonded to a hydrogen atom and an organic group.

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2

Iopamidol, TRC

CAS: 60166-93-0 Molecular Formula: C17 H22 I3 N3 O8 Molecular Weight (g/mol): 777.09 Synonym: Iopamidol,N,N'-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide SMILES: C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I

CAS 60166-93-0
Molecular Weight (g/mol) 777.09
SMILES C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I
Synonym Iopamidol,N,N'-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
IUPAC Name 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
Molecular Formula C17 H22 I3 N3 O8
3

Ioxaglic Acid, TRC

CAS: 59017-64-0 Molecular Formula: C24 H21 I6 N5 O8 Molecular Weight (g/mol): 1268.88 Synonym: Ioxaglic acid,3-[[[[3-(Acetylmethylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid SMILES: CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I

CAS 59017-64-0
Molecular Weight (g/mol) 1268.88
SMILES CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I
Synonym Ioxaglic acid,3-[[[[3-(Acetylmethylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
IUPAC Name 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid
Molecular Formula C24 H21 I6 N5 O8
4

Methyl 2-acetamido-5-bromobenzoate, 97%, Thermo Scientific™

CAS: 138825-96-4 Molecular Formula: C10H10BrNO3 Molecular Weight (g/mol): 272.098 MDL Number: MFCD00144758 InChI Key: CPARHIBNDSEJGR-UHFFFAOYSA-N Synonym: 2-acetamido-5-bromobenzoic acid methyl ester,methyl 2-acetylamino-5-bromobenzoate,n-acetyl-5-bromoanthranilic acid methyl ester,benzoic acid, 2-acetylamino-5-bromo-, methyl ester,methyl 5-bromo-2-acetamidobenzoate,acmc-20akiv,pubchem3334,methyl2-acetamido-5-bromobenzoate,labotest-bb lt00454800 PubChem CID: 736223 IUPAC Name: methyl 2-acetamido-5-bromobenzoate SMILES: CC(=O)NC1=C(C=C(C=C1)Br)C(=O)OC

PubChem CID 736223
CAS 138825-96-4
Molecular Weight (g/mol) 272.098
MDL Number MFCD00144758
SMILES CC(=O)NC1=C(C=C(C=C1)Br)C(=O)OC
Synonym 2-acetamido-5-bromobenzoic acid methyl ester,methyl 2-acetylamino-5-bromobenzoate,n-acetyl-5-bromoanthranilic acid methyl ester,benzoic acid, 2-acetylamino-5-bromo-, methyl ester,methyl 5-bromo-2-acetamidobenzoate,acmc-20akiv,pubchem3334,methyl2-acetamido-5-bromobenzoate,labotest-bb lt00454800
IUPAC Name methyl 2-acetamido-5-bromobenzoate
InChI Key CPARHIBNDSEJGR-UHFFFAOYSA-N
Molecular Formula C10H10BrNO3
5

Methyl 2-acetamido-5-chlorobenzoate, 97%, Thermo Scientific™

CAS: 20676-54-4 Molecular Formula: C10H10ClNO3 Molecular Weight (g/mol): 227.64 MDL Number: MFCD00144759 InChI Key: TVAAIYFBEWHVCV-UHFFFAOYSA-N Synonym: 2-acetamido-5-chlorobenzoic acid methyl ester,methyl 5-chloro-2-acetamidobenzoate,methyl n-acetyl-5-chloroanthranilate,n-acetyl-5-chloroanthranilic acid methyl ester,2-acetylamino-5-chloro-benzoic acid methyl ester,methyl 2-acetylamino-5-chlorobenzoate,pubchem3337,acmc-1cioq,methyl2-acetamido-5-chlorobenzoate,methyl 2-acetamido-5-chloranyl-benzoate PubChem CID: 4640571 IUPAC Name: methyl 2-acetamido-5-chlorobenzoate SMILES: COC(=O)C1=CC(Cl)=CC=C1NC(C)=O

PubChem CID 4640571
CAS 20676-54-4
Molecular Weight (g/mol) 227.64
MDL Number MFCD00144759
SMILES COC(=O)C1=CC(Cl)=CC=C1NC(C)=O
Synonym 2-acetamido-5-chlorobenzoic acid methyl ester,methyl 5-chloro-2-acetamidobenzoate,methyl n-acetyl-5-chloroanthranilate,n-acetyl-5-chloroanthranilic acid methyl ester,2-acetylamino-5-chloro-benzoic acid methyl ester,methyl 2-acetylamino-5-chlorobenzoate,pubchem3337,acmc-1cioq,methyl2-acetamido-5-chlorobenzoate,methyl 2-acetamido-5-chloranyl-benzoate
IUPAC Name methyl 2-acetamido-5-chlorobenzoate
InChI Key TVAAIYFBEWHVCV-UHFFFAOYSA-N
Molecular Formula C10H10ClNO3
6

4-Acetamidobenzoyl chloride, 95%

CAS: 16331-48-9 Molecular Formula: C9H8ClNO2 Molecular Weight (g/mol): 197.618 MDL Number: MFCD02094022 InChI Key: KRKXGCJUNKZXOY-UHFFFAOYSA-N PubChem CID: 7010341 IUPAC Name: 4-acetamidobenzoyl chloride SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)Cl

PubChem CID 7010341
CAS 16331-48-9
Molecular Weight (g/mol) 197.618
MDL Number MFCD02094022
SMILES CC(=O)NC1=CC=C(C=C1)C(=O)Cl
IUPAC Name 4-acetamidobenzoyl chloride
InChI Key KRKXGCJUNKZXOY-UHFFFAOYSA-N
Molecular Formula C9H8ClNO2