5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid

C14H10Br2N2O3 — CID 107971032

IUPAC5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid
SMILESNc1ccc(NC(=O)c2cc(Br)cc(Br)c2)c(C(=O)O)c1
InChIInChI=1S/C14H10Br2N2O3/c15-8-3-7(4-9(16)5-8)13(19)18-12-2-1-10(17)6-11(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeySMKISMUZMCYGJU-UHFFFAOYSA-N
MW414.05 g/mol
LogP3.74
Rot. Bonds3

About 5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid

5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid (PubChem CID 107971032) has the molecular formula C14H10Br2N2O3 and a molecular weight of 414.05 g/mol. Its IUPAC name is 5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid
PubChem CID107971032
Molecular FormulaC14H10Br2N2O3
Molecular Weight414.05 g/mol
Exact Mass411.91
IUPAC Name5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid
SMILESNc1ccc(NC(=O)c2cc(Br)cc(Br)c2)c(C(=O)O)c1
InChIInChI=1S/C14H10Br2N2O3/c15-8-3-7(4-9(16)5-8)13(19)18-12-2-1-10(17)6-11(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeySMKISMUZMCYGJU-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 5-amino-2-[(3,5-dibromobenzoyl)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

5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733
5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid
CID 63115662
5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702530
5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
CID 81111004
N-(5-amino-2-methoxyphenyl)-3,5-dibromobenzamide
CID 107970875
2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
5-amino-2-[(2-chlorobenzoyl)amino]benzoic acid
CID 63115639
5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 45434249
5-amino-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981158
5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343199
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
5-amino-2-(methylamino)benzoic acid
CID 19006283

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid?
The IUPAC name of 5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid (CID 107971032) is 5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid?
The canonical SMILES for 5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid is Nc1ccc(NC(=O)c2cc(Br)cc(Br)c2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid?
The InChIKey is SMKISMUZMCYGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O3/c15-8-3-7(4-9(16)5-8)13(19)18-12-2-1-10(17)6-11(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21).
What are the key properties of 5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid?
5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic 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 5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid is sourced from PubChem (CID 107971032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).