4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one

C23H19F4NO2 — CID 22050570

IUPAC4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one
SMILESC=CCn1c(C)cc(OCc2ccc(F)cc2F)c(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C23H19F4NO2/c1-3-8-28-14(2)9-22(30-13-16-5-7-18(25)12-21(16)27)19(23(28)29)10-15-4-6-17(24)11-20(15)26/h3-7,9,11-12H,1,8,10,13H2,2H3
InChIKeySFCHJAIZFSOFNL-UHFFFAOYSA-N
MW417.40 g/mol
LogP5.07
Rot. Bonds7

About 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one

4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one (PubChem CID 22050570) has the molecular formula C23H19F4NO2 and a molecular weight of 417.40 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one
PubChem CID22050570
Molecular FormulaC23H19F4NO2
Molecular Weight417.40 g/mol
Exact Mass417.14
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one
SMILESC=CCn1c(C)cc(OCc2ccc(F)cc2F)c(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C23H19F4NO2/c1-3-8-28-14(2)9-22(30-13-16-5-7-18(25)12-21(16)27)19(23(28)29)10-15-4-6-17(24)11-20(15)26/h3-7,9,11-12H,1,8,10,13H2,2H3
InChIKeySFCHJAIZFSOFNL-UHFFFAOYSA-N
XLogP5.07
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)benzamide
CID 11305782
4-((3-chloro-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)-N,N-dimethylbenzamide
CID 22050379
3-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)-N,N-dimethylbenzamide
CID 22050440
4-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)-N,N-dimethylbenzamide
CID 22050449
3-bromo-4-(2,4-difluorobenzyloxy)-1-(4-((dimethylamino)methyl)benzyl)-6-methylpyridin-2(1H)-one
CID 22050722
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
4-(4-fluorobenzyloxy)-1-(4-((isopropyl(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487390
1-benzyl-4-(benzyloxy)-3-methylpyridin-2(1H)-one
CID 10193155

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one (CID 22050570) is 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one is C=CCn1c(C)cc(OCc2ccc(F)cc2F)c(Cc2ccc(F)cc2F)c1=O.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one?
The InChIKey is SFCHJAIZFSOFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4NO2/c1-3-8-28-14(2)9-22(30-13-16-5-7-18(25)12-21(16)27)19(23(28)29)10-15-4-6-17(24)11-20(15)26/h3-7,9,11-12H,1,8,10,13H2,2H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one has a molecular weight of 417.40 g/mol, XLogP of 5.07, 7 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]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one is sourced from PubChem (CID 22050570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).