N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C21H23FN2O2 — CID 113190164

IUPACN-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C21H23FN2O2/c1-15(2)23(13-16-7-4-3-5-8-16)21(26)17-11-20(25)24(14-17)19-10-6-9-18(22)12-19/h3-10,12,15,17H,11,13-14H2,1-2H3
InChIKeyNTMNQSYSEWMTCF-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.62
Rot. Bonds5

About N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 113190164) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID113190164
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C21H23FN2O2/c1-15(2)23(13-16-7-4-3-5-8-16)21(26)17-11-20(25)24(14-17)19-10-6-9-18(22)12-19/h3-10,12,15,17H,11,13-14H2,1-2H3
InChIKeyNTMNQSYSEWMTCF-UHFFFAOYSA-N
XLogP3.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-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

Related Compounds

N-benzyl-1-(3-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113191914
N-benzyl-1-(2,6-difluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113192275
1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea
CID 7546779
N-benzyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186693
N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110684524
N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113192006
N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183539
(3S)-1-(3-fluorophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93017520
(3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 9351346
(3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 9352300
N-benzyl-1-[(2-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183447
N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 86897676

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 113190164) is N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is NTMNQSYSEWMTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-15(2)23(13-16-7-4-3-5-8-16)21(26)17-11-20(25)24(14-17)19-10-6-9-18(22)12-19/h3-10,12,15,17H,11,13-14H2,1-2H3.
What are the key properties of N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113190164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).