5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

C21H21F3N2O2 — CID 113186810

IUPAC5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(N2CC(C(=O)Nc3ccccc3C(F)(F)F)CC2=O)c(C)c1
InChIInChI=1S/C21H21F3N2O2/c1-12-8-13(2)19(14(3)9-12)26-11-15(10-18(26)27)20(28)25-17-7-5-4-6-16(17)21(22,23)24/h4-9,15H,10-11H2,1-3H3,(H,25,28)
InChIKeyRIVSNIAKSSKMAG-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.62
Rot. Bonds3

About 5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113186810) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
PubChem CID113186810
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(N2CC(C(=O)Nc3ccccc3C(F)(F)F)CC2=O)c(C)c1
InChIInChI=1S/C21H21F3N2O2/c1-12-8-13(2)19(14(3)9-12)26-11-15(10-18(26)27)20(28)25-17-7-5-4-6-16(17)21(22,23)24/h4-9,15H,10-11H2,1-3H3,(H,25,28)
InChIKeyRIVSNIAKSSKMAG-UHFFFAOYSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylphenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 45020940
(3S)-1-(2,6-dimethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056489
N-(3,5-dimethylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188582
1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187924
N-(2,4-dichlorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186830
N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186815
1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 108792249
N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186808
5-oxo-N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186747
(3S)-1-(2,6-dimethylphenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523127
1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187147
(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (CID 113186810) is 5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is Cc1cc(C)c(N2CC(C(=O)Nc3ccccc3C(F)(F)F)CC2=O)c(C)c1.
What is the InChIKey of 5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is RIVSNIAKSSKMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-12-8-13(2)19(14(3)9-12)26-11-15(10-18(26)27)20(28)25-17-7-5-4-6-16(17)21(22,23)24/h4-9,15H,10-11H2,1-3H3,(H,25,28).
What are the key properties of 5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113186810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).