4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid

C14H9BrClNO4 — CID 107812576

IUPAC4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Br)c(NC(=O)c2cc(O)ccc2Cl)c1
InChIInChI=1S/C14H9BrClNO4/c15-10-3-1-7(14(20)21)5-12(10)17-13(19)9-6-8(18)2-4-11(9)16/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyOHAZPRQZYPSLSE-UHFFFAOYSA-N
MW370.59 g/mol
LogP3.76
Rot. Bonds3

About 4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid

4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid (PubChem CID 107812576) has the molecular formula C14H9BrClNO4 and a molecular weight of 370.59 g/mol. Its IUPAC name is 4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
PubChem CID107812576
Molecular FormulaC14H9BrClNO4
Molecular Weight370.59 g/mol
Exact Mass368.94
IUPAC Name4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Br)c(NC(=O)c2cc(O)ccc2Cl)c1
InChIInChI=1S/C14H9BrClNO4/c15-10-3-1-7(14(20)21)5-12(10)17-13(19)9-6-8(18)2-4-11(9)16/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyOHAZPRQZYPSLSE-UHFFFAOYSA-N
XLogP3.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-[(2-chloro-5-hydroxybenzoyl)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

2-chloro-N-(2,5-dibromophenyl)-5-hydroxybenzamide
CID 106501529
N-(2-bromo-5-chlorophenyl)-2-chloro-5-hydroxybenzamide
CID 106501145
4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 106500177
4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163
N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide
CID 107791092
4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid
CID 107812538
4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367860
4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid
CID 107812487
4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674694
4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 107812540
2-chloro-N-(2,4-dibromophenyl)-5-hydroxybenzamide
CID 106501538
3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 106500377

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid (CID 107812576) is 4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid is O=C(O)c1ccc(Br)c(NC(=O)c2cc(O)ccc2Cl)c1.
What is the InChIKey of 4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is OHAZPRQZYPSLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO4/c15-10-3-1-7(14(20)21)5-12(10)17-13(19)9-6-8(18)2-4-11(9)16/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid?
4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid has a molecular weight of 370.59 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 107812576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).