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

C19H14F3NO2 — CID 118028264

IUPAC5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one
SMILESCc1ccc(Oc2ccc(F)cc2F)c(-c2cc(F)c(=O)n(C)c2)c1
InChIInChI=1S/C19H14F3NO2/c1-11-3-5-17(25-18-6-4-13(20)9-15(18)21)14(7-11)12-8-16(22)19(24)23(2)10-12/h3-10H,1-2H3
InChIKeyZMNBRIWNTIQJIF-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.57
Rot. Bonds3

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

5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one (PubChem CID 118028264) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one
PubChem CID118028264
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one
SMILESCc1ccc(Oc2ccc(F)cc2F)c(-c2cc(F)c(=O)n(C)c2)c1
InChIInChI=1S/C19H14F3NO2/c1-11-3-5-17(25-18-6-4-13(20)9-15(18)21)14(7-11)12-8-16(22)19(24)23(2)10-12/h3-10H,1-2H3
InChIKeyZMNBRIWNTIQJIF-UHFFFAOYSA-N
XLogP4.57
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.57
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-methylphenyl]-3-fluoro-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one (CID 118028264) is 5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one is Cc1ccc(Oc2ccc(F)cc2F)c(-c2cc(F)c(=O)n(C)c2)c1.
What is the InChIKey of 5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one?
The InChIKey is ZMNBRIWNTIQJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2/c1-11-3-5-17(25-18-6-4-13(20)9-15(18)21)14(7-11)12-8-16(22)19(24)23(2)10-12/h3-10H,1-2H3.
What are the key properties of 5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one?
5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-fluoro-1-methylpyridin-2-one has a molecular weight of 345.32 g/mol, XLogP of 4.57, 3 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-methylphenyl]-3-fluoro-1-methylpyridin-2-one is sourced from PubChem (CID 118028264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).