1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one

C20H17ClFNO2 — CID 122178644

IUPAC1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2cccc(F)c2)cc(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClFNO2/c1-14-9-19(25-13-16-3-2-4-18(22)10-16)11-20(24)23(14)12-15-5-7-17(21)8-6-15/h2-11H,12-13H2,1H3
InChIKeyJVVGMPGULDYDML-UHFFFAOYSA-N
MW357.81 g/mol
LogP4.58
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one

1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one (PubChem CID 122178644) has the molecular formula C20H17ClFNO2 and a molecular weight of 357.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one
PubChem CID122178644
Molecular FormulaC20H17ClFNO2
Molecular Weight357.81 g/mol
Exact Mass357.09
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2cccc(F)c2)cc(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClFNO2/c1-14-9-19(25-13-16-3-2-4-18(22)10-16)11-20(24)23(14)12-15-5-7-17(21)8-6-15/h2-11H,12-13H2,1H3
InChIKeyJVVGMPGULDYDML-UHFFFAOYSA-N
XLogP4.58
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one (CID 122178644) is 1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one is Cc1cc(OCc2cccc(F)c2)cc(=O)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one?
The InChIKey is JVVGMPGULDYDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO2/c1-14-9-19(25-13-16-3-2-4-18(22)10-16)11-20(24)23(14)12-15-5-7-17(21)8-6-15/h2-11H,12-13H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one?
1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 357.81 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 122178644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).