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

C18H15F3N2O2 — CID 2883421

IUPAC5-oxo-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H15F3N2O2/c19-18(20,21)13-5-4-6-14(10-13)22-17(25)12-9-16(24)23(11-12)15-7-2-1-3-8-15/h1-8,10,12H,9,11H2,(H,22,25)
InChIKeyPVMNWEBZDZRLKJ-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.70
Rot. Bonds3

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

5-oxo-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 2883421) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 5-oxo-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID2883421
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name5-oxo-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H15F3N2O2/c19-18(20,21)13-5-4-6-14(10-13)22-17(25)12-9-16(24)23(11-12)15-7-2-1-3-8-15/h1-8,10,12H,9,11H2,(H,22,25)
InChIKeyPVMNWEBZDZRLKJ-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 2883421) is 5-oxo-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 5-oxo-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is PVMNWEBZDZRLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-18(20,21)13-5-4-6-14(10-13)22-17(25)12-9-16(24)23(11-12)15-7-2-1-3-8-15/h1-8,10,12H,9,11H2,(H,22,25).
What are the key properties of 5-oxo-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
5-oxo-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 348.32 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 2883421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).