4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid

C14H9BrClNO3 — CID 107812538

IUPAC4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Br)c(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H9BrClNO3/c15-11-6-3-9(14(19)20)7-12(11)17-13(18)8-1-4-10(16)5-2-8/h1-7H,(H,17,18)(H,19,20)
InChIKeyFQEWOAYOAGAING-UHFFFAOYSA-N
MW354.59 g/mol
LogP4.05
Rot. Bonds3

About 4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid

4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid (PubChem CID 107812538) has the molecular formula C14H9BrClNO3 and a molecular weight of 354.59 g/mol. Its IUPAC name is 4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid
PubChem CID107812538
Molecular FormulaC14H9BrClNO3
Molecular Weight354.59 g/mol
Exact Mass352.95
IUPAC Name4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Br)c(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H9BrClNO3/c15-11-6-3-9(14(19)20)7-12(11)17-13(18)8-1-4-10(16)5-2-8/h1-7H,(H,17,18)(H,19,20)
InChIKeyFQEWOAYOAGAING-UHFFFAOYSA-N
XLogP4.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-[(4-chlorobenzoyl)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

4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163
4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 107812540
N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 107812576
4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid
CID 107812487
N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide
CID 81270417
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
3-[(3-aminobenzoyl)amino]-4-bromobenzoic acid
CID 107813567
4-bromo-3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 107812319
5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432385
4-bromo-3-(2H-triazole-4-carbonylamino)benzoic acid
CID 114003870

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid?
The IUPAC name of 4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid (CID 107812538) is 4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid is O=C(O)c1ccc(Br)c(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid?
The InChIKey is FQEWOAYOAGAING-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO3/c15-11-6-3-9(14(19)20)7-12(11)17-13(18)8-1-4-10(16)5-2-8/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid?
4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid has a molecular weight of 354.59 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 107812538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).