1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide

C17H13F4N3O2 — CID 166318281

IUPAC1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cncc(C(F)(F)F)c1)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C17H13F4N3O2/c18-13-3-1-2-4-14(13)24-9-10(5-15(24)25)16(26)23-12-6-11(7-22-8-12)17(19,20)21/h1-4,6-8,10H,5,9H2,(H,23,26)
InChIKeyYONJLNZJJLIGOC-UHFFFAOYSA-N
MW367.30 g/mol
LogP3.23
Rot. Bonds3

About 1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide

1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 166318281) has the molecular formula C17H13F4N3O2 and a molecular weight of 367.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID166318281
Molecular FormulaC17H13F4N3O2
Molecular Weight367.30 g/mol
Exact Mass367.09
IUPAC Name1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cncc(C(F)(F)F)c1)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C17H13F4N3O2/c18-13-3-1-2-4-14(13)24-9-10(5-15(24)25)16(26)23-12-6-11(7-22-8-12)17(19,20)21/h1-4,6-8,10H,5,9H2,(H,23,26)
InChIKeyYONJLNZJJLIGOC-UHFFFAOYSA-N
XLogP3.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529003
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 88954768
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696867
1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 18225532
1-(2-fluorophenyl)-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 51176548
1-(2-fluorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55507733
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 56507833
N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42883707
(3S)-N-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30932440
1-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 2926625

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide (CID 166318281) is 1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide is O=C(Nc1cncc(C(F)(F)F)c1)C1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is YONJLNZJJLIGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O2/c18-13-3-1-2-4-14(13)24-9-10(5-15(24)25)16(26)23-12-6-11(7-22-8-12)17(19,20)21/h1-4,6-8,10H,5,9H2,(H,23,26).
What are the key properties of 1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide?
1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 367.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 166318281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).