1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide

C14H17FN2O2 — CID 71785387

IUPAC1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCCc2ccc(F)cc2)C1
InChIInChI=1S/C14H17FN2O2/c1-10(18)17-8-12(9-17)14(19)16-7-6-11-2-4-13(15)5-3-11/h2-5,12H,6-9H2,1H3,(H,16,19)
InChIKeyKFFYVVGRBPQXGI-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.96
Rot. Bonds4

About 1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide

1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide (PubChem CID 71785387) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide
PubChem CID71785387
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCCc2ccc(F)cc2)C1
InChIInChI=1S/C14H17FN2O2/c1-10(18)17-8-12(9-17)14(19)16-7-6-11-2-4-13(15)5-3-11/h2-5,12H,6-9H2,1H3,(H,16,19)
InChIKeyKFFYVVGRBPQXGI-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide (CID 71785387) is 1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide is CC(=O)N1CC(C(=O)NCCc2ccc(F)cc2)C1.
What is the InChIKey of 1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide?
The InChIKey is KFFYVVGRBPQXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-10(18)17-8-12(9-17)14(19)16-7-6-11-2-4-13(15)5-3-11/h2-5,12H,6-9H2,1H3,(H,16,19).
What are the key properties of 1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide?
1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 71785387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).