1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one

C20H15F4NO2 — CID 22050442

IUPAC1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)c(OCc2ccccc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C20H15F4NO2/c21-16-8-4-7-15(11-16)12-25-10-9-17(18(19(25)26)20(22,23)24)27-13-14-5-2-1-3-6-14/h1-11H,12-13H2
InChIKeyQYYSKRXDEFAZEW-UHFFFAOYSA-N
MW377.34 g/mol
LogP4.63
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one

1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one (PubChem CID 22050442) has the molecular formula C20H15F4NO2 and a molecular weight of 377.34 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one
PubChem CID22050442
Molecular FormulaC20H15F4NO2
Molecular Weight377.34 g/mol
Exact Mass377.10
IUPAC Name1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)c(OCc2ccccc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C20H15F4NO2/c21-16-8-4-7-15(11-16)12-25-10-9-17(18(19(25)26)20(22,23)24)27-13-14-5-2-1-3-6-14/h1-11H,12-13H2
InChIKeyQYYSKRXDEFAZEW-UHFFFAOYSA-N
XLogP4.63
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one
CID 10126288
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-benzyl-4-(benzyloxy)-3-chloropyridin-2(1H)-one
CID 10236731
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
4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)phenethyl)pyridin-2(1H)-one
CID 44469273
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-methoxyethyl)(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487331

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one (CID 22050442) is 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one is O=c1c(C(F)(F)F)c(OCc2ccccc2)ccn1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is QYYSKRXDEFAZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4NO2/c21-16-8-4-7-15(11-16)12-25-10-9-17(18(19(25)26)20(22,23)24)27-13-14-5-2-1-3-6-14/h1-11H,12-13H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one?
1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 377.34 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 22050442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).