3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid

C14H8Br2ClNO3 — CID 107986722

IUPAC3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)c(Br)c1
InChIInChI=1S/C14H8Br2ClNO3/c15-10-6-8(17)2-3-9(10)13(19)18-12-4-1-7(14(20)21)5-11(12)16/h1-6H,(H,18,19)(H,20,21)
InChIKeyPFAASNQKWHUNMJ-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.82
Rot. Bonds3

About 3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid

3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid (PubChem CID 107986722) has the molecular formula C14H8Br2ClNO3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid
PubChem CID107986722
Molecular FormulaC14H8Br2ClNO3
Molecular Weight433.48 g/mol
Exact Mass430.86
IUPAC Name3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)c(Br)c1
InChIInChI=1S/C14H8Br2ClNO3/c15-10-6-8(17)2-3-9(10)13(19)18-12-4-1-7(14(20)21)5-11(12)16/h1-6H,(H,18,19)(H,20,21)
InChIKeyPFAASNQKWHUNMJ-UHFFFAOYSA-N
XLogP4.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-[(2-bromo-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

2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266
2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide
CID 107988092
N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide
CID 81024059
4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid
CID 79705701
3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
CID 114024343
2-bromoterephthalic acid;4-chlorophthalic acid
CID 70572370
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 107989011
2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide
CID 114024506
2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid?
The IUPAC name of 3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid (CID 107986722) is 3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid?
The canonical SMILES for 3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid?
The InChIKey is PFAASNQKWHUNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2ClNO3/c15-10-6-8(17)2-3-9(10)13(19)18-12-4-1-7(14(20)21)5-11(12)16/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid?
3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid has a molecular weight of 433.48 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 107986722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).