4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid

C14H10Br2N2O3 — CID 79705701

IUPAC4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid
SMILESNc1cc(Br)ccc1C(=O)Nc1ccc(C(=O)O)cc1Br
InChIInChI=1S/C14H10Br2N2O3/c15-8-2-3-9(11(17)6-8)13(19)18-12-4-1-7(14(20)21)5-10(12)16/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyDQMNLYLKLQRYML-UHFFFAOYSA-N
MW414.05 g/mol
LogP3.74
Rot. Bonds3

About 4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid

4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid (PubChem CID 79705701) has the molecular formula C14H10Br2N2O3 and a molecular weight of 414.05 g/mol. Its IUPAC name is 4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid.

Molecular Properties

Compound Name4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid
PubChem CID79705701
Molecular FormulaC14H10Br2N2O3
Molecular Weight414.05 g/mol
Exact Mass411.91
IUPAC Name4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid
SMILESNc1cc(Br)ccc1C(=O)Nc1ccc(C(=O)O)cc1Br
InChIInChI=1S/C14H10Br2N2O3/c15-8-2-3-9(11(17)6-8)13(19)18-12-4-1-7(14(20)21)5-10(12)16/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyDQMNLYLKLQRYML-UHFFFAOYSA-N
XLogP3.74
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.05
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic 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-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide
CID 81263873
2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide
CID 61471749
2-[(2-amino-4-bromobenzoyl)amino]benzoic acid
CID 79721511
3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107986722
2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
CID 82757217
3-[(2,4-dibromobenzoyl)amino]-4-hydroxybenzoic acid
CID 107938407
4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide
CID 107789542
4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190056
4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide
CID 107789911
2-amino-4-bromo-N-(4-hydroxy-2-methylphenyl)benzamide
CID 79723167
3-bromo-4-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702612
3-[(4-bromo-2-chlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264740

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid?
The IUPAC name of 4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid (CID 79705701) is 4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid.
What is the SMILES notation for 4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid?
The canonical SMILES for 4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid is Nc1cc(Br)ccc1C(=O)Nc1ccc(C(=O)O)cc1Br.
What is the InChIKey of 4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid?
The InChIKey is DQMNLYLKLQRYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O3/c15-8-2-3-9(11(17)6-8)13(19)18-12-4-1-7(14(20)21)5-10(12)16/h1-6H,17H2,(H,18,19)(H,20,21).
What are the key properties of 4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid?
4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid has a molecular weight of 414.05 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid is sourced from PubChem (CID 79705701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).