4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid

C14H9BrINO3 — CID 60916636

IUPAC4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Br)ccc1C(=O)O)c1ccccc1I
InChIInChI=1S/C14H9BrINO3/c15-8-5-6-10(14(19)20)12(7-8)17-13(18)9-3-1-2-4-11(9)16/h1-7H,(H,17,18)(H,19,20)
InChIKeyXRJOLBKYCQLPSO-UHFFFAOYSA-N
MW446.04 g/mol
LogP4.00
Rot. Bonds3

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

4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid (PubChem CID 60916636) has the molecular formula C14H9BrINO3 and a molecular weight of 446.04 g/mol. Its IUPAC name is 4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid
PubChem CID60916636
Molecular FormulaC14H9BrINO3
Molecular Weight446.04 g/mol
Exact Mass444.88
IUPAC Name4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Br)ccc1C(=O)O)c1ccccc1I
InChIInChI=1S/C14H9BrINO3/c15-8-5-6-10(14(19)20)12(7-8)17-13(18)9-3-1-2-4-11(9)16/h1-7H,(H,17,18)(H,19,20)
InChIKeyXRJOLBKYCQLPSO-UHFFFAOYSA-N
XLogP4.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.04
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[(2-iodobenzoyl)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-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310
2-[(2-amino-4-bromobenzoyl)amino]benzoic acid
CID 79721511
4-bromo-2-(2-carboxyanilino)benzoic acid
CID 13257846
4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
CID 60917051
4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
CID 106860507
4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674764
N-[4-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-iodobenzamide
CID 82698117
4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide
CID 107022135
5-[[3-carboxy-4-[(2-iodobenzoyl)amino]phenyl]methyl]-2-[(2-iodobenzoyl)amino]benzoic acid
CID 3118187
4-bromo-2-[(4-iodophenyl)carbamoylamino]benzoic acid
CID 63548976
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
CID 107517024

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid?
The IUPAC name of 4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid (CID 60916636) is 4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid is O=C(Nc1cc(Br)ccc1C(=O)O)c1ccccc1I.
What is the InChIKey of 4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid?
The InChIKey is XRJOLBKYCQLPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrINO3/c15-8-5-6-10(14(19)20)12(7-8)17-13(18)9-3-1-2-4-11(9)16/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid?
4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid has a molecular weight of 446.04 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid is sourced from PubChem (CID 60916636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).