3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide

C13H12F2N2O2 — CID 115184813

IUPAC3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide
SMILESN#CC1(C(=O)NCCc2ccc(F)c(F)c2)COC1
InChIInChI=1S/C13H12F2N2O2/c14-10-2-1-9(5-11(10)15)3-4-17-12(18)13(6-16)7-19-8-13/h1-2,5H,3-4,7-8H2,(H,17,18)
InChIKeyPRAPOGJDZSIJJL-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.16
Rot. Bonds4

About 3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide

3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide (PubChem CID 115184813) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide
PubChem CID115184813
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide
SMILESN#CC1(C(=O)NCCc2ccc(F)c(F)c2)COC1
InChIInChI=1S/C13H12F2N2O2/c14-10-2-1-9(5-11(10)15)3-4-17-12(18)13(6-16)7-19-8-13/h1-2,5H,3-4,7-8H2,(H,17,18)
InChIKeyPRAPOGJDZSIJJL-UHFFFAOYSA-N
XLogP1.16
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-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

Related Compounds

3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide
CID 115184826
3-[[2-(3,4-difluorophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248148
3-cyano-N-[(2,4-difluorophenyl)methyl]oxetane-3-carboxamide
CID 115184714
3-cyano-N-[2-(1H-pyrrol-2-yl)ethyl]oxetane-3-carboxamide
CID 115184815
3-cyano-N-[(3,4-dimethylphenyl)methyl]oxetane-3-carboxamide
CID 115184692
1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115183365
2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide
CID 115158528
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
N-[2-(3,4-difluorophenyl)ethyl]-3-sulfanylpropanamide
CID 115168012
5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 110795401
3-[[(3,4-difluorophenyl)methylamino]methyl]oxetane-3-carbonitrile
CID 115247986
1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 51246302

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide?
The IUPAC name of 3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide (CID 115184813) is 3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide.
What is the SMILES notation for 3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide?
The canonical SMILES for 3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide is N#CC1(C(=O)NCCc2ccc(F)c(F)c2)COC1.
What is the InChIKey of 3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide?
The InChIKey is PRAPOGJDZSIJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c14-10-2-1-9(5-11(10)15)3-4-17-12(18)13(6-16)7-19-8-13/h1-2,5H,3-4,7-8H2,(H,17,18).
What are the key properties of 3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide?
3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide is sourced from PubChem (CID 115184813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).