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

C15H11Br2NO3 — CID 107812622

IUPAC4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Br)c(Br)c1
InChIInChI=1S/C15H11Br2NO3/c1-8-2-4-10(12(17)6-8)14(19)18-13-7-9(15(20)21)3-5-11(13)16/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyWZCQBURSWVZEBB-UHFFFAOYSA-N
MW413.07 g/mol
LogP4.47
Rot. Bonds3

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

4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid (PubChem CID 107812622) has the molecular formula C15H11Br2NO3 and a molecular weight of 413.07 g/mol. Its IUPAC name is 4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid
PubChem CID107812622
Molecular FormulaC15H11Br2NO3
Molecular Weight413.07 g/mol
Exact Mass410.91
IUPAC Name4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Br)c(Br)c1
InChIInChI=1S/C15H11Br2NO3/c1-8-2-4-10(12(17)6-8)14(19)18-13-7-9(15(20)21)3-5-11(13)16/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyWZCQBURSWVZEBB-UHFFFAOYSA-N
XLogP4.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163
4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 107812589
4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 107812540
3-[(2,4-dibromobenzoyl)amino]-4-hydroxybenzoic acid
CID 107938407
2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide
CID 114259017
4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 107812576
4-bromo-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 107812493
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methylbenzamide
CID 103414573
4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid
CID 107812538
N-(4-amino-2,5-dimethylphenyl)-2-bromo-4-methylbenzamide
CID 103144537
4-bromo-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid
CID 107812550
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid (CID 107812622) is 4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Br)c(Br)c1.
What is the InChIKey of 4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid?
The InChIKey is WZCQBURSWVZEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO3/c1-8-2-4-10(12(17)6-8)14(19)18-13-7-9(15(20)21)3-5-11(13)16/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid?
4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid has a molecular weight of 413.07 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 107812622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).