5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C20H19F3N2O2 — CID 4796520

IUPAC5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)16-7-4-8-17(12-16)24-19(27)15-11-18(26)25(13-15)10-9-14-5-2-1-3-6-14/h1-8,12,15H,9-11,13H2,(H,24,27)
InChIKeyRRJGZLHNNFFPIX-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.74
Rot. Bonds5

About 5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 4796520) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID4796520
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)16-7-4-8-17(12-16)24-19(27)15-11-18(26)25(13-15)10-9-14-5-2-1-3-6-14/h1-8,12,15H,9-11,13H2,(H,24,27)
InChIKeyRRJGZLHNNFFPIX-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-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 5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 4796520) is 5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is RRJGZLHNNFFPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-20(22,23)16-7-4-8-17(12-16)24-19(27)15-11-18(26)25(13-15)10-9-14-5-2-1-3-6-14/h1-8,12,15H,9-11,13H2,(H,24,27).
What are the key properties of 5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 4796520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).