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

C21H21F3N2O2 — CID 53181860

IUPAC5-oxo-1-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H21F3N2O2/c22-21(23,24)18-9-5-4-8-16(18)13-25-20(28)17-12-19(27)26(14-17)11-10-15-6-2-1-3-7-15/h1-9,17H,10-14H2,(H,25,28)
InChIKeyWLHVQHUYZHMMQS-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.41
Rot. Bonds6

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

5-oxo-1-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 53181860) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 5-oxo-1-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID53181860
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name5-oxo-1-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H21F3N2O2/c22-21(23,24)18-9-5-4-8-16(18)13-25-20(28)17-12-19(27)26(14-17)11-10-15-6-2-1-3-7-15/h1-9,17H,10-14H2,(H,25,28)
InChIKeyWLHVQHUYZHMMQS-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 53181860) is 5-oxo-1-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccccc1C(F)(F)F)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 5-oxo-1-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is WLHVQHUYZHMMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c22-21(23,24)18-9-5-4-8-16(18)13-25-20(28)17-12-19(27)26(14-17)11-10-15-6-2-1-3-7-15/h1-9,17H,10-14H2,(H,25,28).
What are the key properties of 5-oxo-1-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
5-oxo-1-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 3.41, 6 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-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 53181860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).