cyclopentyl N-(2-fluorophenyl)-N-methylcarbamate

C13H16FNO2 — CID 112738834

IUPACcyclopentyl N-(2-fluorophenyl)-N-methylcarbamate
SMILESCN(C(=O)OC1CCCC1)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c1-15(12-9-5-4-8-11(12)14)13(16)17-10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyGKWMLXRECAJYQF-UHFFFAOYSA-N
MW237.27 g/mol
LogP3.34
Rot. Bonds2

About cyclopentyl N-(2-fluorophenyl)-N-methylcarbamate

cyclopentyl N-(2-fluorophenyl)-N-methylcarbamate (PubChem CID 112738834) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is cyclopentyl N-(2-fluorophenyl)-N-methylcarbamate.

Molecular Properties

Compound Namecyclopentyl N-(2-fluorophenyl)-N-methylcarbamate
PubChem CID112738834
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namecyclopentyl N-(2-fluorophenyl)-N-methylcarbamate
SMILESCN(C(=O)OC1CCCC1)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c1-15(12-9-5-4-8-11(12)14)13(16)17-10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyGKWMLXRECAJYQF-UHFFFAOYSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclopentyl N-(2-fluorophenyl)-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-(2-fluorophenyl)-N-methylcarbamate?
The IUPAC name of cyclopentyl N-(2-fluorophenyl)-N-methylcarbamate (CID 112738834) is cyclopentyl N-(2-fluorophenyl)-N-methylcarbamate.
What is the SMILES notation for cyclopentyl N-(2-fluorophenyl)-N-methylcarbamate?
The canonical SMILES for cyclopentyl N-(2-fluorophenyl)-N-methylcarbamate is CN(C(=O)OC1CCCC1)c1ccccc1F.
What is the InChIKey of cyclopentyl N-(2-fluorophenyl)-N-methylcarbamate?
The InChIKey is GKWMLXRECAJYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15(12-9-5-4-8-11(12)14)13(16)17-10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3.
What are the key properties of cyclopentyl N-(2-fluorophenyl)-N-methylcarbamate?
cyclopentyl N-(2-fluorophenyl)-N-methylcarbamate has a molecular weight of 237.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-(2-fluorophenyl)-N-methylcarbamate is sourced from PubChem (CID 112738834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).