4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid

C15H12ClNO3 — CID 28914625

IUPAC4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl
InChIInChI=1S/C15H12ClNO3/c1-9-2-3-11(8-13(9)16)14(18)17-12-6-4-10(5-7-12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyWBMOFZNQVYHXPD-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.60
Rot. Bonds3

About 4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid

4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid (PubChem CID 28914625) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
PubChem CID28914625
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl
InChIInChI=1S/C15H12ClNO3/c1-9-2-3-11(8-13(9)16)14(18)17-12-6-4-10(5-7-12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyWBMOFZNQVYHXPD-UHFFFAOYSA-N
XLogP3.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
CID 63195185
4-[(3-chloro-4-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 28669002
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide
CID 111116205
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide
CID 107583928
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
4-[[3-[(4-chlorophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1144112

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid (CID 28914625) is 4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl.
What is the InChIKey of 4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid?
The InChIKey is WBMOFZNQVYHXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-9-2-3-11(8-13(9)16)14(18)17-12-6-4-10(5-7-12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid?
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid has a molecular weight of 289.72 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 28914625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).