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

C20H19F3N2O3 — CID 55741475

IUPAC5-oxo-N-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NOCc1ccccc1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)17-8-4-7-15(9-17)11-25-12-16(10-18(25)26)19(27)24-28-13-14-5-2-1-3-6-14/h1-9,16H,10-13H2,(H,24,27)
InChIKeySVTRNAWSECILQV-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.30
Rot. Bonds6

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

5-oxo-N-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 55741475) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 5-oxo-N-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID55741475
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name5-oxo-N-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NOCc1ccccc1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)17-8-4-7-15(9-17)11-25-12-16(10-18(25)26)19(27)24-28-13-14-5-2-1-3-6-14/h1-9,16H,10-13H2,(H,24,27)
InChIKeySVTRNAWSECILQV-UHFFFAOYSA-N
XLogP3.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 55741475) is 5-oxo-N-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is O=C(NOCc1ccccc1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 5-oxo-N-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is SVTRNAWSECILQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)17-8-4-7-15(9-17)11-25-12-16(10-18(25)26)19(27)24-28-13-14-5-2-1-3-6-14/h1-9,16H,10-13H2,(H,24,27).
What are the key properties of 5-oxo-N-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
5-oxo-N-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55741475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).