N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide

C13H16FNO — CID 39964862

IUPACN-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
SMILESCCN(C(=O)C1CCC1)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-2-15(13(16)10-4-3-5-10)12-8-6-11(14)7-9-12/h6-10H,2-5H2,1H3
InChIKeyRZZBYNXAEXTTPM-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.98
Rot. Bonds3

About N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide

N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide (PubChem CID 39964862) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
PubChem CID39964862
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC NameN-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
SMILESCCN(C(=O)C1CCC1)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-2-15(13(16)10-4-3-5-10)12-8-6-11(14)7-9-12/h6-10H,2-5H2,1H3
InChIKeyRZZBYNXAEXTTPM-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide 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 N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide (CID 39964862) is N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide is CCN(C(=O)C1CCC1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide?
The InChIKey is RZZBYNXAEXTTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-2-15(13(16)10-4-3-5-10)12-8-6-11(14)7-9-12/h6-10H,2-5H2,1H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide?
N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide has a molecular weight of 221.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide is sourced from PubChem (CID 39964862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).