2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide

C12H12FN3O — CID 82015908

IUPAC2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide
SMILESN#Cc1cc(F)ccc1NC(=O)CC1CNC1
InChIInChI=1S/C12H12FN3O/c13-10-1-2-11(9(4-10)5-14)16-12(17)3-8-6-15-7-8/h1-2,4,8,15H,3,6-7H2,(H,16,17)
InChIKeyDDEFOLRYWHRMLR-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.25
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide

2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide (PubChem CID 82015908) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide
PubChem CID82015908
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide
SMILESN#Cc1cc(F)ccc1NC(=O)CC1CNC1
InChIInChI=1S/C12H12FN3O/c13-10-1-2-11(9(4-10)5-14)16-12(17)3-8-6-15-7-8/h1-2,4,8,15H,3,6-7H2,(H,16,17)
InChIKeyDDEFOLRYWHRMLR-UHFFFAOYSA-N
XLogP1.25
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide 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

N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide
CID 80709860
N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 82016419
2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 64615986
2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798290
N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide
CID 115911184
2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64616779
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
N-(2-cyano-4-fluorophenyl)-3-sulfanylpropanamide
CID 107033592
N-(2-cyano-4-fluorophenyl)-2-(cyclopentylamino)acetamide
CID 82015810
N-(2-cyano-4-fluorophenyl)-3,3-dimethylbutanamide
CID 79953681
4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide
CID 82015813
2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 64617943

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide (CID 82015908) is 2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide is N#Cc1cc(F)ccc1NC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide?
The InChIKey is DDEFOLRYWHRMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-1-2-11(9(4-10)5-14)16-12(17)3-8-6-15-7-8/h1-2,4,8,15H,3,6-7H2,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide?
2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide has a molecular weight of 233.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide is sourced from PubChem (CID 82015908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).