5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C12H11F3N2O2 — CID 121229069

IUPAC5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)7-2-1-3-8(6-7)17-9(11(16)19)4-5-10(17)18/h1-3,6,9H,4-5H2,(H2,16,19)
InChIKeyMTBOCWNWKRJOQJ-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.69
Rot. Bonds2

About 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 121229069) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID121229069
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)7-2-1-3-8(6-7)17-9(11(16)19)4-5-10(17)18/h1-3,6,9H,4-5H2,(H2,16,19)
InChIKeyMTBOCWNWKRJOQJ-UHFFFAOYSA-N
XLogP1.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 134861017
5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
CID 115060460
1-(4-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 110374080
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110424566
1-propan-2-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 4296377
(5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 129379960
(2S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 66644849
7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
CID 123494904
1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide
CID 66683745
CID 11716839
CID 11716839
(5R)-1-(4-methylphenyl)sulfonyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93059294
3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
CID 10384140

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 121229069) is 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is NC(=O)C1CCC(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is MTBOCWNWKRJOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)7-2-1-3-8(6-7)17-9(11(16)19)4-5-10(17)18/h1-3,6,9H,4-5H2,(H2,16,19).
What are the key properties of 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 272.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 121229069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).