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

C12H11F3N2O3 — CID 78981617

IUPAC5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2OC(F)(F)F)CN1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)20-9-4-2-1-3-8(9)17-11(19)7-5-10(18)16-6-7/h1-4,7H,5-6H2,(H,16,18)(H,17,19)
InChIKeyYNHRMOFBTUWZBK-UHFFFAOYSA-N
MW288.22 g/mol
LogP1.66
Rot. Bonds3

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

5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 78981617) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID78981617
Molecular FormulaC12H11F3N2O3
Molecular Weight288.22 g/mol
Exact Mass288.07
IUPAC Name5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2OC(F)(F)F)CN1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)20-9-4-2-1-3-8(9)17-11(19)7-5-10(18)16-6-7/h1-4,7H,5-6H2,(H,16,18)(H,17,19)
InChIKeyYNHRMOFBTUWZBK-UHFFFAOYSA-N
XLogP1.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 18072532
2-oxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46696496
1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
CID 90513254
N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981788
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 18072094
1-(2-bromophenyl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46587243
5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 43034361
2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192341
N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981643
N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide
CID 64563962
N-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide
CID 162470725
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47201193

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide (CID 78981617) is 5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2ccccc2OC(F)(F)F)CN1.
What is the InChIKey of 5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is YNHRMOFBTUWZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c13-12(14,15)20-9-4-2-1-3-8(9)17-11(19)7-5-10(18)16-6-7/h1-4,7H,5-6H2,(H,16,18)(H,17,19).
What are the key properties of 5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 288.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 78981617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).