(2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

C17H21F3N2O2 — CID 67609939

IUPAC(2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1c(CNC(=O)[C@@H]2CCC(=O)N2C(C)C)cccc1C(F)(F)F
InChIInChI=1S/C17H21F3N2O2/c1-10(2)22-14(7-8-15(22)23)16(24)21-9-12-5-4-6-13(11(12)3)17(18,19)20/h4-6,10,14H,7-9H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyRCAKAGXDFUEVCR-AWEZNQCLSA-N
MW342.36 g/mol
LogP3.03
Rot. Bonds4

About (2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

(2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 67609939) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is (2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID67609939
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name(2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1c(CNC(=O)[C@@H]2CCC(=O)N2C(C)C)cccc1C(F)(F)F
InChIInChI=1S/C17H21F3N2O2/c1-10(2)22-14(7-8-15(22)23)16(24)21-9-12-5-4-6-13(11(12)3)17(18,19)20/h4-6,10,14H,7-9H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyRCAKAGXDFUEVCR-AWEZNQCLSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-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 (2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (CID 67609939) is (2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is Cc1c(CNC(=O)[C@@H]2CCC(=O)N2C(C)C)cccc1C(F)(F)F.
What is the InChIKey of (2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is RCAKAGXDFUEVCR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-10(2)22-14(7-8-15(22)23)16(24)21-9-12-5-4-6-13(11(12)3)17(18,19)20/h4-6,10,14H,7-9H2,1-3H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67609939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).