N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide

C14H16FNO2 — CID 131923892

IUPACN-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCCOc1ccccc1F)C1CC=CC1
InChIInChI=1S/C14H16FNO2/c15-12-7-3-4-8-13(12)18-10-9-16-14(17)11-5-1-2-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,16,17)
InChIKeyLZMXEJIAQUROSZ-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide

N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide (PubChem CID 131923892) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide
PubChem CID131923892
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCCOc1ccccc1F)C1CC=CC1
InChIInChI=1S/C14H16FNO2/c15-12-7-3-4-8-13(12)18-10-9-16-14(17)11-5-1-2-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,16,17)
InChIKeyLZMXEJIAQUROSZ-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide 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

(1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide
CID 155509778
N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide
CID 110481245
N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide
CID 43009468
1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide
CID 45227376
N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide
CID 7927585
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
1-[2-(2-fluorophenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046317
N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72919255
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide (CID 131923892) is N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide is O=C(NCCOc1ccccc1F)C1CC=CC1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is LZMXEJIAQUROSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-12-7-3-4-8-13(12)18-10-9-16-14(17)11-5-1-2-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,16,17).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 249.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 131923892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).