3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide

C12H11FN2O2 — CID 115184666

IUPAC3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide
SMILESCN(C(=O)C1(C#N)COC1)c1ccccc1F
InChIInChI=1S/C12H11FN2O2/c1-15(10-5-3-2-4-9(10)13)11(16)12(6-14)7-17-8-12/h2-5H,7-8H2,1H3
InChIKeyPIBKDGQSPNIUDE-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.33
Rot. Bonds2

About 3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide

3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide (PubChem CID 115184666) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide
PubChem CID115184666
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide
SMILESCN(C(=O)C1(C#N)COC1)c1ccccc1F
InChIInChI=1S/C12H11FN2O2/c1-15(10-5-3-2-4-9(10)13)11(16)12(6-14)7-17-8-12/h2-5H,7-8H2,1H3
InChIKeyPIBKDGQSPNIUDE-UHFFFAOYSA-N
XLogP1.33
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide 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 3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide?
The IUPAC name of 3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide (CID 115184666) is 3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide.
What is the SMILES notation for 3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide?
The canonical SMILES for 3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide is CN(C(=O)C1(C#N)COC1)c1ccccc1F.
What is the InChIKey of 3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide?
The InChIKey is PIBKDGQSPNIUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-15(10-5-3-2-4-9(10)13)11(16)12(6-14)7-17-8-12/h2-5H,7-8H2,1H3.
What are the key properties of 3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide?
3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide is sourced from PubChem (CID 115184666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).