(3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

C22H25FN2O2 — CID 54176069

IUPAC(3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](c1ccccc1)N1C[C@](CF)(C(=O)N(C)Cc2ccccc2)CC1=O
InChIInChI=1S/C22H25FN2O2/c1-17(19-11-7-4-8-12-19)25-16-22(15-23,13-20(25)26)21(27)24(2)14-18-9-5-3-6-10-18/h3-12,17H,13-16H2,1-2H3/t17-,22+/m1/s1
InChIKeyOYLNNGPNRCWTSR-VGSWGCGISA-N
MW368.45 g/mol
LogP3.59
Rot. Bonds6

About (3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

(3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 54176069) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is (3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID54176069
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name(3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](c1ccccc1)N1C[C@](CF)(C(=O)N(C)Cc2ccccc2)CC1=O
InChIInChI=1S/C22H25FN2O2/c1-17(19-11-7-4-8-12-19)25-16-22(15-23,13-20(25)26)21(27)24(2)14-18-9-5-3-6-10-18/h3-12,17H,13-16H2,1-2H3/t17-,22+/m1/s1
InChIKeyOYLNNGPNRCWTSR-VGSWGCGISA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]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 (3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 54176069) is (3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is C[C@H](c1ccccc1)N1C[C@](CF)(C(=O)N(C)Cc2ccccc2)CC1=O.
What is the InChIKey of (3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is OYLNNGPNRCWTSR-VGSWGCGISA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-17(19-11-7-4-8-12-19)25-16-22(15-23,13-20(25)26)21(27)24(2)14-18-9-5-3-6-10-18/h3-12,17H,13-16H2,1-2H3/t17-,22+/m1/s1.
What are the key properties of (3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
(3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 54176069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).