2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide

C15H21FN2O — CID 116676248

IUPAC2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)C(C)c1ccc(F)cc1)C1CNC1
InChIInChI=1S/C15H21FN2O/c1-10(13-8-17-9-13)15(19)18(3)11(2)12-4-6-14(16)7-5-12/h4-7,10-11,13,17H,8-9H2,1-3H3
InChIKeyRSZJAFNPNQOIMS-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.20
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide

2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide (PubChem CID 116676248) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
PubChem CID116676248
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)C(C)c1ccc(F)cc1)C1CNC1
InChIInChI=1S/C15H21FN2O/c1-10(13-8-17-9-13)15(19)18(3)11(2)12-4-6-14(16)7-5-12/h4-7,10-11,13,17H,8-9H2,1-3H3
InChIKeyRSZJAFNPNQOIMS-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Ksp-IA
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CID 16286933
N-[1-(2-fluorobenzyl)piperidin-3-yl]cyclobutanecarboxamide
CID 23723581
4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide
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CID 5142944

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide (CID 116676248) is 2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide is CC(C(=O)N(C)C(C)c1ccc(F)cc1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide?
The InChIKey is RSZJAFNPNQOIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10(13-8-17-9-13)15(19)18(3)11(2)12-4-6-14(16)7-5-12/h4-7,10-11,13,17H,8-9H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide?
2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide has a molecular weight of 264.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 116676248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).