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

C14H10F2N2O3 — CID 115745847

IUPAC4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C14H10F2N2O3/c1-8-6-9(15)2-4-11(8)14(19)17-13-5-3-10(18(20)21)7-12(13)16/h2-7H,1H3,(H,17,19)
InChIKeyDJYBIRKBMZLDIZ-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.43
Rot. Bonds3

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

4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide (PubChem CID 115745847) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide
PubChem CID115745847
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C14H10F2N2O3/c1-8-6-9(15)2-4-11(8)14(19)17-13-5-3-10(18(20)21)7-12(13)16/h2-7H,1H3,(H,17,19)
InChIKeyDJYBIRKBMZLDIZ-UHFFFAOYSA-N
XLogP3.43
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.43
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-fluoro-N-(2-fluoro-4-nitrophenyl)-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

2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
CID 773721
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
2-amino-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 63110152
2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 43708503
2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 108808620
2,4-dibromo-N-(2-fluoro-4-nitrophenyl)benzamide
CID 103886519
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 60594295
N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
CID 127502598
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
N-(4-bromo-2-fluorophenyl)-2,4-dinitrobenzamide
CID 3306901

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide?
The IUPAC name of 4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide (CID 115745847) is 4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide?
The canonical SMILES for 4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide is Cc1cc(F)ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide?
The InChIKey is DJYBIRKBMZLDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c1-8-6-9(15)2-4-11(8)14(19)17-13-5-3-10(18(20)21)7-12(13)16/h2-7H,1H3,(H,17,19).
What are the key properties of 4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide?
4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide has a molecular weight of 292.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide is sourced from PubChem (CID 115745847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).