5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C21H21F3N2O2 — CID 113186635

IUPAC5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1N1CC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C21H21F3N2O2/c1-13(2)17-5-3-4-6-18(17)26-12-14(11-19(26)27)20(28)25-16-9-7-15(8-10-16)21(22,23)24/h3-10,13-14H,11-12H2,1-2H3,(H,25,28)
InChIKeyMWQAHUDXAAXRQP-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.82
Rot. Bonds4

About 5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 113186635) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID113186635
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1N1CC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C21H21F3N2O2/c1-13(2)17-5-3-4-6-18(17)26-12-14(11-19(26)27)20(28)25-16-9-7-15(8-10-16)21(22,23)24/h3-10,13-14H,11-12H2,1-2H3,(H,25,28)
InChIKeyMWQAHUDXAAXRQP-UHFFFAOYSA-N
XLogP4.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]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

(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186644
N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 10194740
1-(3-chloro-2-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187538
5-oxo-1-(4-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113186713
1-(3,5-dimethylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113186200
N-[4-[N-[(cyclopropylamino)methyl]anilino]phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 150539654
1-(4-chloro-2-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187758
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 88954768
1-(4-acetylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188969
N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186614
methyl 2-[[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113186640

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 113186635) is 5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CC(C)c1ccccc1N1CC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1=O.
What is the InChIKey of 5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is MWQAHUDXAAXRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-13(2)17-5-3-4-6-18(17)26-12-14(11-19(26)27)20(28)25-16-9-7-15(8-10-16)21(22,23)24/h3-10,13-14H,11-12H2,1-2H3,(H,25,28).
What are the key properties of 5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 113186635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).