(3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C20H21FN2O2 — CID 2585689

IUPAC(3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(N2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)cc1
InChIInChI=1S/C20H21FN2O2/c1-13(2)14-7-9-16(10-8-14)23-12-15(11-19(23)24)20(25)22-18-6-4-3-5-17(18)21/h3-10,13,15H,11-12H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyFIIRXFFIRVNALL-HNNXBMFYSA-N
MW340.40 g/mol
LogP3.94
Rot. Bonds4

About (3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

(3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 2585689) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID2585689
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(N2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)cc1
InChIInChI=1S/C20H21FN2O2/c1-13(2)14-7-9-16(10-8-14)23-12-15(11-19(23)24)20(25)22-18-6-4-3-5-17(18)21/h3-10,13,15H,11-12H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyFIIRXFFIRVNALL-HNNXBMFYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)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

Related Compounds

N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189954
(3S)-1-(4-ethoxyphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6549615
N-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186706
N-(2-chlorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3122127
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
(3R)-N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 40977067
(3S)-1-(4-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 679855
N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 17201834
N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186701
5-oxo-1-(4-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113186713
(3S)-N-(2-chlorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 715111
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 2585689) is (3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccc(N2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)cc1.
What is the InChIKey of (3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is FIIRXFFIRVNALL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13(2)14-7-9-16(10-8-14)23-12-15(11-19(23)24)20(25)22-18-6-4-3-5-17(18)21/h3-10,13,15H,11-12H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
(3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2585689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).