1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide

C20H13F5N2O3 — CID 18560967

IUPAC1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccn(OCc2ccccc2F)c1=O
InChIInChI=1S/C20H13F5N2O3/c21-16-6-2-1-4-12(16)11-30-27-9-3-5-14(19(27)29)18(28)26-13-7-8-17(22)15(10-13)20(23,24)25/h1-10H,11H2,(H,26,28)
InChIKeyIRANHTJLXNOERE-UHFFFAOYSA-N
MW424.33 g/mol
LogP4.03
Rot. Bonds5

About 1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide

1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 18560967) has the molecular formula C20H13F5N2O3 and a molecular weight of 424.33 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide
PubChem CID18560967
Molecular FormulaC20H13F5N2O3
Molecular Weight424.33 g/mol
Exact Mass424.08
IUPAC Name1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccn(OCc2ccccc2F)c1=O
InChIInChI=1S/C20H13F5N2O3/c21-16-6-2-1-4-12(16)11-30-27-9-3-5-14(19(27)29)18(28)26-13-7-8-17(22)15(10-13)20(23,24)25/h1-10H,11H2,(H,26,28)
InChIKeyIRANHTJLXNOERE-UHFFFAOYSA-N
XLogP4.03
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide (CID 18560967) is 1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccn(OCc2ccccc2F)c1=O.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is IRANHTJLXNOERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N2O3/c21-16-6-2-1-4-12(16)11-30-27-9-3-5-14(19(27)29)18(28)26-13-7-8-17(22)15(10-13)20(23,24)25/h1-10H,11H2,(H,26,28).
What are the key properties of 1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide?
1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 424.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 18560967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).