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

C12H11F3N2O2 — CID 3127810

IUPAC5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)7-2-1-3-8(6-7)16-11(19)9-4-5-10(18)17-9/h1-3,6,9H,4-5H2,(H,16,19)(H,17,18)
InChIKeyROYJMCBMLYHAFR-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.92
Rot. Bonds2

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

5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 3127810) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID3127810
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)7-2-1-3-8(6-7)16-11(19)9-4-5-10(18)17-9/h1-3,6,9H,4-5H2,(H,16,19)(H,17,18)
InChIKeyROYJMCBMLYHAFR-UHFFFAOYSA-N
XLogP1.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 3127810) is 5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is O=C1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is ROYJMCBMLYHAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)7-2-1-3-8(6-7)16-11(19)9-4-5-10(18)17-9/h1-3,6,9H,4-5H2,(H,16,19)(H,17,18).
What are the key properties of 5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 272.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 3127810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).