N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide

C13H9BrCl2N2O — CID 107986320

IUPACN-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide
SMILESNc1cccc(Cl)c1NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H9BrCl2N2O/c14-9-6-7(15)4-5-8(9)13(19)18-12-10(16)2-1-3-11(12)17/h1-6H,17H2,(H,18,19)
InChIKeyPPMGTHHZOCIVAR-UHFFFAOYSA-N
MW360.04 g/mol
LogP4.59
Rot. Bonds2

About N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide

N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide (PubChem CID 107986320) has the molecular formula C13H9BrCl2N2O and a molecular weight of 360.04 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide
PubChem CID107986320
Molecular FormulaC13H9BrCl2N2O
Molecular Weight360.04 g/mol
Exact Mass357.93
IUPAC NameN-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide
SMILESNc1cccc(Cl)c1NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H9BrCl2N2O/c14-9-6-7(15)4-5-8(9)13(19)18-12-10(16)2-1-3-11(12)17/h1-6H,17H2,(H,18,19)
InChIKeyPPMGTHHZOCIVAR-UHFFFAOYSA-N
XLogP4.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.04
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-6-chlorophenyl)-2-bromo-4-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

N-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide
CID 107986345
N-(2-amino-6-chlorophenyl)-4-chloro-2-methoxybenzamide
CID 62085162
2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide
CID 113257211
2-bromo-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 103765558
2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135
2-amino-N-(2-bromo-4-chlorophenyl)benzamide
CID 81262559
N-(2-amino-6-chlorophenyl)-2-methylbenzamide
CID 62084781
3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid
CID 107938398
N-(2-amino-6-methylphenyl)-2,4-dibromobenzamide
CID 107937350
N-(2-amino-6-chlorophenyl)-3-hydroxy-2-methylbenzamide
CID 82827421
2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 107989011
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide (CID 107986320) is N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide is Nc1cccc(Cl)c1NC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide?
The InChIKey is PPMGTHHZOCIVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O/c14-9-6-7(15)4-5-8(9)13(19)18-12-10(16)2-1-3-11(12)17/h1-6H,17H2,(H,18,19).
What are the key properties of N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide?
N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide has a molecular weight of 360.04 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide is sourced from PubChem (CID 107986320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).