cyclopentyl N-(4-fluorophenyl)-N-methylcarbamate

C13H16FNO2 — CID 112738833

IUPACcyclopentyl N-(4-fluorophenyl)-N-methylcarbamate
SMILESCN(C(=O)OC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c1-15(11-8-6-10(14)7-9-11)13(16)17-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3
InChIKeyNRLPNCAMXXKEKJ-UHFFFAOYSA-N
MW237.27 g/mol
LogP3.34
Rot. Bonds2

About cyclopentyl N-(4-fluorophenyl)-N-methylcarbamate

cyclopentyl N-(4-fluorophenyl)-N-methylcarbamate (PubChem CID 112738833) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is cyclopentyl N-(4-fluorophenyl)-N-methylcarbamate.

Molecular Properties

Compound Namecyclopentyl N-(4-fluorophenyl)-N-methylcarbamate
PubChem CID112738833
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namecyclopentyl N-(4-fluorophenyl)-N-methylcarbamate
SMILESCN(C(=O)OC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c1-15(11-8-6-10(14)7-9-11)13(16)17-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3
InChIKeyNRLPNCAMXXKEKJ-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

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-(4-fluorophenyl)-N-methylcarbamate?
The IUPAC name of cyclopentyl N-(4-fluorophenyl)-N-methylcarbamate (CID 112738833) is cyclopentyl N-(4-fluorophenyl)-N-methylcarbamate.
What is the SMILES notation for cyclopentyl N-(4-fluorophenyl)-N-methylcarbamate?
The canonical SMILES for cyclopentyl N-(4-fluorophenyl)-N-methylcarbamate is CN(C(=O)OC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of cyclopentyl N-(4-fluorophenyl)-N-methylcarbamate?
The InChIKey is NRLPNCAMXXKEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15(11-8-6-10(14)7-9-11)13(16)17-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3.
What are the key properties of cyclopentyl N-(4-fluorophenyl)-N-methylcarbamate?
cyclopentyl N-(4-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-(4-fluorophenyl)-N-methylcarbamate is sourced from PubChem (CID 112738833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).