2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide

C13H7BrClFN2O3 — CID 60955297

IUPAC2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1Br
InChIInChI=1S/C13H7BrClFN2O3/c14-10-6-8(16)2-3-9(10)13(19)17-11-5-7(15)1-4-12(11)18(20)21/h1-6H,(H,17,19)
InChIKeyWLQJOGXJTUDKSZ-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.40
Rot. Bonds3

About 2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide

2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide (PubChem CID 60955297) has the molecular formula C13H7BrClFN2O3 and a molecular weight of 373.57 g/mol. Its IUPAC name is 2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
PubChem CID60955297
Molecular FormulaC13H7BrClFN2O3
Molecular Weight373.57 g/mol
Exact Mass371.93
IUPAC Name2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1Br
InChIInChI=1S/C13H7BrClFN2O3/c14-10-6-8(16)2-3-9(10)13(19)17-11-5-7(15)1-4-12(11)18(20)21/h1-6H,(H,17,19)
InChIKeyWLQJOGXJTUDKSZ-UHFFFAOYSA-N
XLogP4.40
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 54.40
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-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide 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-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
CID 9192644
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954645
3-bromo-4-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952918
2-bromo-4-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 18197993
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952917
2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 107988108
2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956
3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide
CID 107951900
5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 8866239
2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide
CID 106994147

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide (CID 60955297) is 2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide is O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide?
The InChIKey is WLQJOGXJTUDKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2O3/c14-10-6-8(16)2-3-9(10)13(19)17-11-5-7(15)1-4-12(11)18(20)21/h1-6H,(H,17,19).
What are the key properties of 2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide?
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide has a molecular weight of 373.57 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide is sourced from PubChem (CID 60955297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).