1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one

C20H23F2NO2 — CID 11382435

IUPAC1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one
SMILESCc1c(OCc2ccc(F)cc2F)cc(C)n(C2CCCCC2)c1=O
InChIInChI=1S/C20H23F2NO2/c1-13-10-19(25-12-15-8-9-16(21)11-18(15)22)14(2)20(24)23(13)17-6-4-3-5-7-17/h8-11,17H,3-7,12H2,1-2H3
InChIKeyITTUOMKUEYHXTL-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.83
Rot. Bonds4

About 1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one

1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one (PubChem CID 11382435) has the molecular formula C20H23F2NO2 and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one
PubChem CID11382435
Molecular FormulaC20H23F2NO2
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one
SMILESCc1c(OCc2ccc(F)cc2F)cc(C)n(C2CCCCC2)c1=O
InChIInChI=1S/C20H23F2NO2/c1-13-10-19(25-12-15-8-9-16(21)11-18(15)22)14(2)20(24)23(13)17-6-4-3-5-7-17/h8-11,17H,3-7,12H2,1-2H3
InChIKeyITTUOMKUEYHXTL-UHFFFAOYSA-N
XLogP4.83
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-(3-fluorobenzyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 10194381
3-bromo-4-(2,4-difluorobenzyloxy)-1-(3-fluorobenzyl)pyridin-2(1H)-one
CID 10216550
1-(3-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11155124
1-(4-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11178413
3-bromo-4-(2,4-difluorobenzyloxy)-1-(4-((dimethylamino)methyl)benzyl)-6-methylpyridin-2(1H)-one
CID 22050722
3-bromo-4-(2,4-difluorobenzyloxy)-1-(3-((dimethylamino)methyl)benzyl)-6-methylpyridin-2(1H)-one
CID 22050741
1-(4-((cyclopentyl(propyl)amino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487283
1-(4-((ethyl(propyl)amino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487284
4-(4-fluorobenzyloxy)-1-(4-((methyl(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487309
4-(4-fluorobenzyloxy)-1-(4-(((2-fluoroethyl)(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487356
1-(4-((diethylamino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487382
1-(4-((dipropylamino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487383

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one?
The IUPAC name of 1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one (CID 11382435) is 1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one is Cc1c(OCc2ccc(F)cc2F)cc(C)n(C2CCCCC2)c1=O.
What is the InChIKey of 1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one?
The InChIKey is ITTUOMKUEYHXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO2/c1-13-10-19(25-12-15-8-9-16(21)11-18(15)22)14(2)20(24)23(13)17-6-4-3-5-7-17/h8-11,17H,3-7,12H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one?
1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one has a molecular weight of 347.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one is sourced from PubChem (CID 11382435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).