5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide

C13H10BrCl2N3O — CID 107196396

IUPAC5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Nc1ccc(Cl)cc1Br
InChIInChI=1S/C13H10BrCl2N3O/c14-9-3-6(15)1-2-11(9)19-12-8(13(18)20)4-7(17)5-10(12)16/h1-5,19H,17H2,(H2,18,20)
InChIKeyWNYOBRWNHLKCII-UHFFFAOYSA-N
MW375.05 g/mol
LogP4.18
Rot. Bonds3

About 5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide

5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide (PubChem CID 107196396) has the molecular formula C13H10BrCl2N3O and a molecular weight of 375.05 g/mol. Its IUPAC name is 5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide.

Molecular Properties

Compound Name5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide
PubChem CID107196396
Molecular FormulaC13H10BrCl2N3O
Molecular Weight375.05 g/mol
Exact Mass372.94
IUPAC Name5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Nc1ccc(Cl)cc1Br
InChIInChI=1S/C13H10BrCl2N3O/c14-9-3-6(15)1-2-11(9)19-12-8(13(18)20)4-7(17)5-10(12)16/h1-5,19H,17H2,(H2,18,20)
InChIKeyWNYOBRWNHLKCII-UHFFFAOYSA-N
XLogP4.18
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.05
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide 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-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide
CID 107792965
5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
CID 107192270
5-amino-3-chloro-2-(2-chloroanilino)benzamide
CID 107193224
5-amino-2-(2-bromo-4-fluoroanilino)-3-chlorobenzoic acid
CID 107193652
5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
CID 107193351
5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide
CID 107195194
5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide
CID 107196316
5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide
CID 107196343
methyl 5-amino-2-(2-bromo-4-chloroanilino)benzoate
CID 81274517
5-amino-3-chloro-2-(2,5-dibromoanilino)benzoic acid
CID 107194856
5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
CID 107192577
5-amino-3-chloro-2-(cyclopropylamino)benzamide
CID 107192447

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide?
The IUPAC name of 5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide (CID 107196396) is 5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide.
What is the SMILES notation for 5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide?
The canonical SMILES for 5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide is NC(=O)c1cc(N)cc(Cl)c1Nc1ccc(Cl)cc1Br.
What is the InChIKey of 5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide?
The InChIKey is WNYOBRWNHLKCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N3O/c14-9-3-6(15)1-2-11(9)19-12-8(13(18)20)4-7(17)5-10(12)16/h1-5,19H,17H2,(H2,18,20).
What are the key properties of 5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide?
5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide has a molecular weight of 375.05 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide is sourced from PubChem (CID 107196396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).