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

C21H21F3N2O2 — CID 2925576

IUPAC5-oxo-1-(4-propan-2-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(N2CC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1
InChIInChI=1S/C21H21F3N2O2/c1-13(2)14-6-8-18(9-7-14)26-12-15(10-19(26)27)20(28)25-17-5-3-4-16(11-17)21(22,23)24/h3-9,11,13,15H,10,12H2,1-2H3,(H,25,28)
InChIKeySKBVISWSFWOMSM-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.82
Rot. Bonds4

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

5-oxo-1-(4-propan-2-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 2925576) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 5-oxo-1-(4-propan-2-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(4-propan-2-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID2925576
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name5-oxo-1-(4-propan-2-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(N2CC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1
InChIInChI=1S/C21H21F3N2O2/c1-13(2)14-6-8-18(9-7-14)26-12-15(10-19(26)27)20(28)25-17-5-3-4-16(11-17)21(22,23)24/h3-9,11,13,15H,10,12H2,1-2H3,(H,25,28)
InChIKeySKBVISWSFWOMSM-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

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Related Compounds

(3R)-1-(4-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1103942
5-oxo-1-(4-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113186713
(3R)-1-(4-bromophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1109938
(3R)-1-(3-acetamidophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92719769
(3S)-1-(3-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 9004872
(3S)-1-(4-nitrophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 9056105
(3S)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93018282
N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 21230150
(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 92898741
1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 18225532
(3R)-N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 40977067
N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 17201834

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(4-propan-2-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(4-propan-2-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 2925576) is 5-oxo-1-(4-propan-2-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(4-propan-2-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(4-propan-2-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CC(C)c1ccc(N2CC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1.
What is the InChIKey of 5-oxo-1-(4-propan-2-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is SKBVISWSFWOMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-13(2)14-6-8-18(9-7-14)26-12-15(10-19(26)27)20(28)25-17-5-3-4-16(11-17)21(22,23)24/h3-9,11,13,15H,10,12H2,1-2H3,(H,25,28).
What are the key properties of 5-oxo-1-(4-propan-2-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
5-oxo-1-(4-propan-2-ylphenyl)-N-[3-(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-(4-propan-2-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 2925576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).