5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one

C20H16F3NO2 — CID 118028259

IUPAC5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one
SMILESCCc1ccc(Oc2ccc(F)cc2F)c(-c2cc(F)c(=O)n(C)c2)c1
InChIInChI=1S/C20H16F3NO2/c1-3-12-4-6-18(26-19-7-5-14(21)10-16(19)22)15(8-12)13-9-17(23)20(25)24(2)11-13/h4-11H,3H2,1-2H3
InChIKeyAMJLEYMUZPLEBN-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.82
Rot. Bonds4

About 5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one

5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one (PubChem CID 118028259) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one
PubChem CID118028259
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC Name5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one
SMILESCCc1ccc(Oc2ccc(F)cc2F)c(-c2cc(F)c(=O)n(C)c2)c1
InChIInChI=1S/C20H16F3NO2/c1-3-12-4-6-18(26-19-7-5-14(21)10-16(19)22)15(8-12)13-9-17(23)20(25)24(2)11-13/h4-11H,3H2,1-2H3
InChIKeyAMJLEYMUZPLEBN-UHFFFAOYSA-N
XLogP4.82
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one (CID 118028259) is 5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one is CCc1ccc(Oc2ccc(F)cc2F)c(-c2cc(F)c(=O)n(C)c2)c1.
What is the InChIKey of 5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one?
The InChIKey is AMJLEYMUZPLEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2/c1-3-12-4-6-18(26-19-7-5-14(21)10-16(19)22)15(8-12)13-9-17(23)20(25)24(2)11-13/h4-11H,3H2,1-2H3.
What are the key properties of 5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one?
5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one has a molecular weight of 359.35 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluorophenoxy)-5-ethylphenyl]-3-fluoro-1-methylpyridin-2-one is sourced from PubChem (CID 118028259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).