3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid

C15H12ClNO3 — CID 81362091

IUPAC3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid
SMILESCc1cccc(C(=O)Nc2cc(Cl)cc(C(=O)O)c2)c1
InChIInChI=1S/C15H12ClNO3/c1-9-3-2-4-10(5-9)14(18)17-13-7-11(15(19)20)6-12(16)8-13/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyDKKHHJQQWKOWHN-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.60
Rot. Bonds3

About 3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid

3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid (PubChem CID 81362091) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid
PubChem CID81362091
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid
SMILESCc1cccc(C(=O)Nc2cc(Cl)cc(C(=O)O)c2)c1
InChIInChI=1S/C15H12ClNO3/c1-9-3-2-4-10(5-9)14(18)17-13-7-11(15(19)20)6-12(16)8-13/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyDKKHHJQQWKOWHN-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

Analyze 3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid
CID 43452757
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid
CID 107688176
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid
CID 81361883
3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid
CID 106703565
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide
CID 113022321
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid (CID 81362091) is 3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid is Cc1cccc(C(=O)Nc2cc(Cl)cc(C(=O)O)c2)c1.
What is the InChIKey of 3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid?
The InChIKey is DKKHHJQQWKOWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-9-3-2-4-10(5-9)14(18)17-13-7-11(15(19)20)6-12(16)8-13/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid?
3-chloro-5-[(3-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 3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 81362091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).