1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C13H15FN2O2 — CID 6462581

IUPAC1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C13H15FN2O2/c14-11-3-1-9(2-4-11)5-6-16-8-10(13(15)18)7-12(16)17/h1-4,10H,5-8H2,(H2,15,18)
InChIKeyMINUJESMSMNGKI-UHFFFAOYSA-N
MW250.27 g/mol
LogP0.70
Rot. Bonds4

About 1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 6462581) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID6462581
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C13H15FN2O2/c14-11-3-1-9(2-4-11)5-6-16-8-10(13(15)18)7-12(16)17/h1-4,10H,5-8H2,(H2,15,18)
InChIKeyMINUJESMSMNGKI-UHFFFAOYSA-N
XLogP0.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 6462581) is 1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MINUJESMSMNGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-11-3-1-9(2-4-11)5-6-16-8-10(13(15)18)7-12(16)17/h1-4,10H,5-8H2,(H2,15,18).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 250.27 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6462581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).