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

C17H15F3N2O3 — CID 113188537

IUPACN-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CC(=O)N(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)13-5-1-2-6-14(13)22-10-11(8-15(22)23)16(24)21-9-12-4-3-7-25-12/h1-7,11H,8-10H2,(H,21,24)
InChIKeyVDVFAFWUGILICP-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.97
Rot. Bonds4

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

N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 113188537) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID113188537
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC NameN-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CC(=O)N(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)13-5-1-2-6-14(13)22-10-11(8-15(22)23)16(24)21-9-12-4-3-7-25-12/h1-7,11H,8-10H2,(H,21,24)
InChIKeyVDVFAFWUGILICP-UHFFFAOYSA-N
XLogP2.97
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-oxo-N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188552
N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188517
(3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9004622
(3R)-1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 765553
N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113190089
(3R)-N-(furan-2-ylmethyl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 97465205
N-cycloheptyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188564
(3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 99158648
1-(2-ethylphenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 45020940
1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 46485730
N-(3,5-dimethylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188582
(3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94021658

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 113188537) is N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(NCc1ccco1)C1CC(=O)N(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is VDVFAFWUGILICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c18-17(19,20)13-5-1-2-6-14(13)22-10-11(8-15(22)23)16(24)21-9-12-4-3-7-25-12/h1-7,11H,8-10H2,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 352.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 113188537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).