2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide

C12H15FN2O — CID 64616743

IUPAC2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CC1CNC1)NCc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c13-11-3-1-9(2-4-11)8-15-12(16)5-10-6-14-7-10/h1-4,10,14H,5-8H2,(H,15,16)
InChIKeyUJVITQJFYKHDTK-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.05
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 64616743) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID64616743
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CC1CNC1)NCc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c13-11-3-1-9(2-4-11)8-15-12(16)5-10-6-14-7-10/h1-4,10,14H,5-8H2,(H,15,16)
InChIKeyUJVITQJFYKHDTK-UHFFFAOYSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 64616556
2-(azetidin-3-yl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
CID 64609544
2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 156825138
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814673
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46294982
N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626456
2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60647225
1-[(4-fluorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097119

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 64616743) is 2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CC1CNC1)NCc1ccc(F)cc1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is UJVITQJFYKHDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-11-3-1-9(2-4-11)8-15-12(16)5-10-6-14-7-10/h1-4,10,14H,5-8H2,(H,15,16).
What are the key properties of 2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 222.26 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 64616743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).