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

C12H15FN2O2 — CID 64501710

IUPAC2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline
SMILESCC1CCC(Nc2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C12H15FN2O2/c1-8-2-3-9(6-8)14-12-7-10(15(16)17)4-5-11(12)13/h4-5,7-9,14H,2-3,6H2,1H3
InChIKeyOVQQDHPDDHTJBU-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.33
Rot. Bonds3

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

2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline (PubChem CID 64501710) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline.

Molecular Properties

Compound Name2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline
PubChem CID64501710
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline
SMILESCC1CCC(Nc2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C12H15FN2O2/c1-8-2-3-9(6-8)14-12-7-10(15(16)17)4-5-11(12)13/h4-5,7-9,14H,2-3,6H2,1H3
InChIKeyOVQQDHPDDHTJBU-UHFFFAOYSA-N
XLogP3.33
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.33
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-nitroaniline 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-5-nitro-N-(4-propylcyclohexyl)aniline
CID 43719007
2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline
CID 43719065
N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline
CID 43719057
2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide
CID 114545572
2,5-difluoro-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376152
2-bromo-N-(3-methylcyclohexyl)-4-nitroaniline
CID 43742254
N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline
CID 64762309
3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine
CID 79461374
2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline
CID 103082166
2-chloro-N-(4-methylcyclohexyl)-4-nitroaniline
CID 43081290
N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 64750773
2-(difluoromethyl)-N-(3-methylcyclobutyl)-4-nitroaniline
CID 113467291

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline?
The IUPAC name of 2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline (CID 64501710) is 2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline.
What is the SMILES notation for 2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline?
The canonical SMILES for 2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline is CC1CCC(Nc2cc([N+](=O)[O-])ccc2F)C1.
What is the InChIKey of 2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline?
The InChIKey is OVQQDHPDDHTJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8-2-3-9(6-8)14-12-7-10(15(16)17)4-5-11(12)13/h4-5,7-9,14H,2-3,6H2,1H3.
What are the key properties of 2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline?
2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline has a molecular weight of 238.26 g/mol, XLogP of 3.33, 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-nitroaniline is sourced from PubChem (CID 64501710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).