1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C18H14F4N2O2 — CID 46048999

IUPAC1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCN(c2cccc(F)c2)C1=O
InChIInChI=1S/C18H14F4N2O2/c19-12-4-2-6-14(10-12)24-8-7-15(17(24)26)16(25)23-13-5-1-3-11(9-13)18(20,21)22/h1-6,9-10,15H,7-8H2,(H,23,25)
InChIKeySOFYPECWQVZVJT-UHFFFAOYSA-N
MW366.31 g/mol
LogP3.84
Rot. Bonds3

About 1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 46048999) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID46048999
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCN(c2cccc(F)c2)C1=O
InChIInChI=1S/C18H14F4N2O2/c19-12-4-2-6-14(10-12)24-8-7-15(17(24)26)16(25)23-13-5-1-3-11(9-13)18(20,21)22/h1-6,9-10,15H,7-8H2,(H,23,25)
InChIKeySOFYPECWQVZVJT-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-(3-fluorophenyl)-2-oxo-N-[3-(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

1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2844150
3-[(4-Fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 2877115
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072556
N-([1,1'-Biphenyl]-3-yl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072557
1-(2-Fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 2867506
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3354062
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)butanamide
CID 6463056
N-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6473240
N-(4-fluorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 16312902
1-(2-Fluorophenyl)-N-(2-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 580214
N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 612869

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 46048999) is 1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(c2cccc(F)c2)C1=O.
What is the InChIKey of 1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is SOFYPECWQVZVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c19-12-4-2-6-14(10-12)24-8-7-15(17(24)26)16(25)23-13-5-1-3-11(9-13)18(20,21)22/h1-6,9-10,15H,7-8H2,(H,23,25).
What are the key properties of 1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 366.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46048999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).