5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide

C13H9BrCl3N3O — CID 107792965

IUPAC5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H9BrCl3N3O/c14-7-1-2-9(11(17)10(7)16)20-12-6(13(19)21)3-5(18)4-8(12)15/h1-4,20H,18H2,(H2,19,21)
InChIKeyVOAZZONCMAUHDU-UHFFFAOYSA-N
MW409.50 g/mol
LogP4.83
Rot. Bonds3

About 5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide

5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide (PubChem CID 107792965) has the molecular formula C13H9BrCl3N3O and a molecular weight of 409.50 g/mol. Its IUPAC name is 5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide.

Molecular Properties

Compound Name5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide
PubChem CID107792965
Molecular FormulaC13H9BrCl3N3O
Molecular Weight409.50 g/mol
Exact Mass406.90
IUPAC Name5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H9BrCl3N3O/c14-7-1-2-9(11(17)10(7)16)20-12-6(13(19)21)3-5(18)4-8(12)15/h1-4,20H,18H2,(H2,19,21)
InChIKeyVOAZZONCMAUHDU-UHFFFAOYSA-N
XLogP4.83
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-amino-2-(4-bromo-2,3-dichloroanilino)-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-(2-bromo-4-chloroanilino)-3-chlorobenzamide
CID 107196396
5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
CID 107192270
5-amino-3-chloro-2-(2-chloroanilino)benzamide
CID 107193224
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-(2,5-dibromoanilino)benzoic acid
CID 107194856
5-amino-2-(2-bromo-4-fluoroanilino)-3-chlorobenzoic acid
CID 107193652
5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide
CID 107196343
4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide
CID 107787000
5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
CID 107192577
3-amino-2-(4-bromo-2,3-dichloroanilino)benzoic acid
CID 107792961
5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide
CID 107196316

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide?
The IUPAC name of 5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide (CID 107792965) is 5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide.
What is the SMILES notation for 5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide?
The canonical SMILES for 5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide is NC(=O)c1cc(N)cc(Cl)c1Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide?
The InChIKey is VOAZZONCMAUHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl3N3O/c14-7-1-2-9(11(17)10(7)16)20-12-6(13(19)21)3-5(18)4-8(12)15/h1-4,20H,18H2,(H2,19,21).
What are the key properties of 5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide?
5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide has a molecular weight of 409.50 g/mol, XLogP of 4.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide is sourced from PubChem (CID 107792965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).