2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide

C13H15FN2O3 — CID 114545572

IUPAC2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide
SMILESCC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C13H15FN2O3/c1-8-2-3-9(6-8)15-13(17)11-7-10(16(18)19)4-5-12(11)14/h4-5,7-9H,2-3,6H2,1H3,(H,15,17)
InChIKeyJYYBKIKTAOPJDY-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.65
Rot. Bonds3

About 2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide

2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide (PubChem CID 114545572) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide
PubChem CID114545572
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide
SMILESCC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C13H15FN2O3/c1-8-2-3-9(6-8)15-13(17)11-7-10(16(18)19)4-5-12(11)14/h4-5,7-9H,2-3,6H2,1H3,(H,15,17)
InChIKeyJYYBKIKTAOPJDY-UHFFFAOYSA-N
XLogP2.65
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.65
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-fluoro-N-(3-methylcyclopentyl)-5-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

2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43377638
2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide
CID 103097102
2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43244113
2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline
CID 64501710
2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64814525
2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide
CID 4611426
4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide
CID 114541023
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide
CID 103297073
N-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803
2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide
CID 64723347
2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide
CID 114549525

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide?
The IUPAC name of 2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide (CID 114545572) is 2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide is CC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)C1.
What is the InChIKey of 2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide?
The InChIKey is JYYBKIKTAOPJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8-2-3-9(6-8)15-13(17)11-7-10(16(18)19)4-5-12(11)14/h4-5,7-9H,2-3,6H2,1H3,(H,15,17).
What are the key properties of 2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide?
2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide has a molecular weight of 266.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide is sourced from PubChem (CID 114545572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).