2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide

C13H7BrCl2N2O3 — CID 103763477

IUPAC2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H7BrCl2N2O3/c14-10-5-7(15)1-3-9(10)13(19)17-8-2-4-11(16)12(6-8)18(20)21/h1-6H,(H,17,19)
InChIKeyRXWQEJXEIUFMPU-UHFFFAOYSA-N
MW390.02 g/mol
LogP4.92
Rot. Bonds3

About 2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide

2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide (PubChem CID 103763477) has the molecular formula C13H7BrCl2N2O3 and a molecular weight of 390.02 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
PubChem CID103763477
Molecular FormulaC13H7BrCl2N2O3
Molecular Weight390.02 g/mol
Exact Mass387.90
IUPAC Name2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H7BrCl2N2O3/c14-10-5-7(15)1-3-9(10)13(19)17-8-2-4-11(16)12(6-8)18(20)21/h1-6H,(H,17,19)
InChIKeyRXWQEJXEIUFMPU-UHFFFAOYSA-N
XLogP4.92
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.02
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide 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-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 63110257
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706
2-bromo-4-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 103763591
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
CID 55363553
2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 107988108
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
2-chloro-N-(4-chloro-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4626962
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide
CID 2850372
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide
CID 3343277
2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103886725
2-amino-N-(4-chloro-3-nitrophenyl)-4-fluorobenzamide
CID 63110248
4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide
CID 38926215

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide (CID 103763477) is 2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide?
The InChIKey is RXWQEJXEIUFMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2O3/c14-10-5-7(15)1-3-9(10)13(19)17-8-2-4-11(16)12(6-8)18(20)21/h1-6H,(H,17,19).
What are the key properties of 2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide?
2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide has a molecular weight of 390.02 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide is sourced from PubChem (CID 103763477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).