2-(2-bromo-3-chloroanilino)benzoic acid

C13H9BrClNO2 — CID 103480389

IUPAC2-(2-bromo-3-chloroanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H9BrClNO2/c14-12-9(15)5-3-7-11(12)16-10-6-2-1-4-8(10)13(17)18/h1-7,16H,(H,17,18)
InChIKeyDBCWWFISIVBKFD-UHFFFAOYSA-N
MW326.58 g/mol
LogP4.54
Rot. Bonds3

About 2-(2-bromo-3-chloroanilino)benzoic acid

2-(2-bromo-3-chloroanilino)benzoic acid (PubChem CID 103480389) has the molecular formula C13H9BrClNO2 and a molecular weight of 326.58 g/mol. Its IUPAC name is 2-(2-bromo-3-chloroanilino)benzoic acid.

Molecular Properties

Compound Name2-(2-bromo-3-chloroanilino)benzoic acid
PubChem CID103480389
Molecular FormulaC13H9BrClNO2
Molecular Weight326.58 g/mol
Exact Mass324.95
IUPAC Name2-(2-bromo-3-chloroanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H9BrClNO2/c14-12-9(15)5-3-7-11(12)16-10-6-2-1-4-8(10)13(17)18/h1-7,16H,(H,17,18)
InChIKeyDBCWWFISIVBKFD-UHFFFAOYSA-N
XLogP4.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-3-chloroanilino)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

2-(2-bromo-3-chloroanilino)-4-nitrobenzoic acid
CID 103480404
2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-carboxylic acid
CID 114195437
2-(2-bromo-5-chloroanilino)benzoic acid
CID 81270365
2-(2-bromo-4-chloroanilino)benzoic acid
CID 81271359
3-chloro-2-(2-chloroanilino)benzoic acid
CID 615153
4-bromo-2-(2-carboxyanilino)benzoic acid
CID 13257846
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-(2-formylanilino)benzoic acid
CID 54432432
3-(2-chloroanilino)-2-nitrobenzoic acid
CID 115542075
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine
CID 103477400

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-chloroanilino)benzoic acid?
The IUPAC name of 2-(2-bromo-3-chloroanilino)benzoic acid (CID 103480389) is 2-(2-bromo-3-chloroanilino)benzoic acid.
What is the SMILES notation for 2-(2-bromo-3-chloroanilino)benzoic acid?
The canonical SMILES for 2-(2-bromo-3-chloroanilino)benzoic acid is O=C(O)c1ccccc1Nc1cccc(Cl)c1Br.
What is the InChIKey of 2-(2-bromo-3-chloroanilino)benzoic acid?
The InChIKey is DBCWWFISIVBKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO2/c14-12-9(15)5-3-7-11(12)16-10-6-2-1-4-8(10)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 2-(2-bromo-3-chloroanilino)benzoic acid?
2-(2-bromo-3-chloroanilino)benzoic acid has a molecular weight of 326.58 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-chloroanilino)benzoic acid is sourced from PubChem (CID 103480389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).