N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide

C14H10BrFN2O3 — CID 115883996

IUPACN-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10BrFN2O3/c1-8-6-9(16)2-4-11(8)14(19)17-10-3-5-12(15)13(7-10)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyHKPCLTFPXAPTBK-UHFFFAOYSA-N
MW353.15 g/mol
LogP4.06
Rot. Bonds3

About N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide

N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide (PubChem CID 115883996) has the molecular formula C14H10BrFN2O3 and a molecular weight of 353.15 g/mol. Its IUPAC name is N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide
PubChem CID115883996
Molecular FormulaC14H10BrFN2O3
Molecular Weight353.15 g/mol
Exact Mass351.99
IUPAC NameN-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10BrFN2O3/c1-8-6-9(16)2-4-11(8)14(19)17-10-3-5-12(15)13(7-10)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyHKPCLTFPXAPTBK-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 N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide 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

4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide
CID 8865660
2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576304
3-bromo-N-(4-bromo-3-nitrophenyl)-2-fluorobenzamide
CID 106547604
N-(4-bromo-3-methylphenyl)-2-fluoro-4-nitrobenzamide
CID 61038158
4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide
CID 26087185
4-amino-2-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
CID 107793705
2-bromo-4-fluoro-N-(4-nitrophenyl)benzamide
CID 18197888
2,4-dibromo-N-(3-methyl-4-nitrophenyl)benzamide
CID 103932023
methyl N-(4-bromo-3-nitrophenyl)carbamate
CID 116656693
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641755

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide (CID 115883996) is N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide?
The InChIKey is HKPCLTFPXAPTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O3/c1-8-6-9(16)2-4-11(8)14(19)17-10-3-5-12(15)13(7-10)18(20)21/h2-7H,1H3,(H,17,19).
What are the key properties of N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide?
N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide 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 N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 115883996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).