4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one

C20H14F5NO2 — CID 22050960

IUPAC4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)cc(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H14F5NO2/c1-12-8-15(28-11-13-6-7-14(21)9-17(13)22)10-19(27)26(12)18-5-3-2-4-16(18)20(23,24)25/h2-10H,11H2,1H3
InChIKeyKLYFUTYICVCFCT-UHFFFAOYSA-N
MW395.33 g/mol
LogP5.02
Rot. Bonds4

About 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one

4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 22050960) has the molecular formula C20H14F5NO2 and a molecular weight of 395.33 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID22050960
Molecular FormulaC20H14F5NO2
Molecular Weight395.33 g/mol
Exact Mass395.09
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)cc(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H14F5NO2/c1-12-8-15(28-11-13-6-7-14(21)9-17(13)22)10-19(27)26(12)18-5-3-2-4-16(18)20(23,24)25/h2-10H,11H2,1H3
InChIKeyKLYFUTYICVCFCT-UHFFFAOYSA-N
XLogP5.02
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.33
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203508
3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid
CID 22050325
N-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807797
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2-methylphenyl)pyridin-2-one
CID 141203440
4-[(2,4-difluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one
CID 22050000
3-[4-[[4-fluoro-2-[(methoxycarbonylamino)methyl]phenyl]methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid
CID 22050631
4-[(2,4-difluorophenyl)methoxy]-1-(4-methylphenyl)pyridin-2-one
CID 141203521
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203443
3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 141203432
1-(2,6-difluorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one
CID 22051098
N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]phenyl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59808190
1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 154453995

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one (CID 22050960) is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)cc(=O)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is KLYFUTYICVCFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F5NO2/c1-12-8-15(28-11-13-6-7-14(21)9-17(13)22)10-19(27)26(12)18-5-3-2-4-16(18)20(23,24)25/h2-10H,11H2,1H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 395.33 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 22050960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).