2-[(2-amino-4-bromobenzoyl)amino]benzoic acid

C14H11BrN2O3 — CID 79721511

IUPAC2-[(2-amino-4-bromobenzoyl)amino]benzoic acid
SMILESNc1cc(Br)ccc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H11BrN2O3/c15-8-5-6-9(11(16)7-8)13(18)17-12-4-2-1-3-10(12)14(19)20/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyQIXTUGGAHLBZQH-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.98
Rot. Bonds3

About 2-[(2-amino-4-bromobenzoyl)amino]benzoic acid

2-[(2-amino-4-bromobenzoyl)amino]benzoic acid (PubChem CID 79721511) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 2-[(2-amino-4-bromobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-amino-4-bromobenzoyl)amino]benzoic acid
PubChem CID79721511
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name2-[(2-amino-4-bromobenzoyl)amino]benzoic acid
SMILESNc1cc(Br)ccc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H11BrN2O3/c15-8-5-6-9(11(16)7-8)13(18)17-12-4-2-1-3-10(12)14(19)20/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyQIXTUGGAHLBZQH-UHFFFAOYSA-N
XLogP2.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide
CID 79714001
2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 79721735
2-amino-4-bromo-N-(2-nitrophenyl)benzamide
CID 79714381
4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid
CID 60916636
4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid
CID 79705701
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308
2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 79713450
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
2-[(2,5-dibromothiophene-3-carbonyl)amino]benzoic acid
CID 104952989
4-bromo-2-(2-carboxyanilino)benzoic acid
CID 13257846
2-amino-4-bromo-N-(4-hydroxy-2-methylphenyl)benzamide
CID 79723167
2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 79723333

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-bromobenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(2-amino-4-bromobenzoyl)amino]benzoic acid (CID 79721511) is 2-[(2-amino-4-bromobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-amino-4-bromobenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-amino-4-bromobenzoyl)amino]benzoic acid is Nc1cc(Br)ccc1C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-amino-4-bromobenzoyl)amino]benzoic acid?
The InChIKey is QIXTUGGAHLBZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-8-5-6-9(11(16)7-8)13(18)17-12-4-2-1-3-10(12)14(19)20/h1-7H,16H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-amino-4-bromobenzoyl)amino]benzoic acid?
2-[(2-amino-4-bromobenzoyl)amino]benzoic acid has a molecular weight of 335.16 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-bromobenzoyl)amino]benzoic acid is sourced from PubChem (CID 79721511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).