4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide

C14H10BrFN2O3 — CID 8865660

IUPAC4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10BrFN2O3/c1-8-6-10(16)3-5-12(8)17-14(19)9-2-4-11(15)13(7-9)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyLOURQWFQVIZFPA-UHFFFAOYSA-N
MW353.15 g/mol
LogP4.06
Rot. Bonds3

About 4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide

4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide (PubChem CID 8865660) has the molecular formula C14H10BrFN2O3 and a molecular weight of 353.15 g/mol. Its IUPAC name is 4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide
PubChem CID8865660
Molecular FormulaC14H10BrFN2O3
Molecular Weight353.15 g/mol
Exact Mass351.99
IUPAC Name4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10BrFN2O3/c1-8-6-10(16)3-5-12(8)17-14(19)9-2-4-11(15)13(7-9)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyLOURQWFQVIZFPA-UHFFFAOYSA-N
XLogP4.06
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.15
LogP ≤ 54.06
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 4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide 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-(4-bromo-2-methylphenyl)-3-fluoro-4-nitrobenzamide
CID 62681982
4-(azepan-1-yl)-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide
CID 7922163
N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide
CID 115883996
N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
CID 26363954
N-(4-bromo-2-methylphenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 112790080
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
N-(2-bromo-4-fluorophenyl)-3-chloro-4-nitrobenzamide
CID 82778464
3-bromo-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 107951971
3-bromo-4-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952918
N-(4-fluoro-2-methylphenyl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 26886321
4-bromo-N-(3-methylphenyl)-3-nitrobenzamide
CID 8713916
4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide
CID 103774675

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide?
The IUPAC name of 4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide (CID 8865660) is 4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide is Cc1cc(F)ccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of 4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide?
The InChIKey is LOURQWFQVIZFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O3/c1-8-6-10(16)3-5-12(8)17-14(19)9-2-4-11(15)13(7-9)18(20)21/h2-7H,1H3,(H,17,19).
What are the key properties of 4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide?
4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide has a molecular weight of 353.15 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 8865660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).