(3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H21FN2O2 — CID 33398015

IUPAC(3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c(C)c1
InChIInChI=1S/C20H21FN2O2/c1-12-4-7-18(14(3)8-12)22-20(25)15-9-19(24)23(11-15)16-6-5-13(2)17(21)10-16/h4-8,10,15H,9,11H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyKYBIONJFWIHCGB-HNNXBMFYSA-N
MW340.40 g/mol
LogP3.74
Rot. Bonds3

About (3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 33398015) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID33398015
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c(C)c1
InChIInChI=1S/C20H21FN2O2/c1-12-4-7-18(14(3)8-12)22-20(25)15-9-19(24)23(11-15)16-6-5-13(2)17(21)10-16/h4-8,10,15H,9,11H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyKYBIONJFWIHCGB-HNNXBMFYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-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

(3S)-N-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 847984
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2883840
1-(4-bromo-3-methylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578133
N-(3-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42939717
1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188811
(3S)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691179
(3R)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691180
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747
methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 43044505
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155646
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098377
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22107880

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 33398015) is (3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c(C)c1.
What is the InChIKey of (3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KYBIONJFWIHCGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-12-4-7-18(14(3)8-12)22-20(25)15-9-19(24)23(11-15)16-6-5-13(2)17(21)10-16/h4-8,10,15H,9,11H2,1-3H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 33398015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).