1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

C20H16BrF2NO2 — CID 22050197

IUPAC1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccccc1
InChIInChI=1S/C20H16BrF2NO2/c1-13-9-18(26-12-15-7-8-16(22)10-17(15)23)19(21)20(25)24(13)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyLUVJHJDVISUMCN-UHFFFAOYSA-N
MW420.25 g/mol
LogP4.82
Rot. Bonds5

About 1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (PubChem CID 22050197) has the molecular formula C20H16BrF2NO2 and a molecular weight of 420.25 g/mol. Its IUPAC name is 1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
PubChem CID22050197
Molecular FormulaC20H16BrF2NO2
Molecular Weight420.25 g/mol
Exact Mass419.03
IUPAC Name1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccccc1
InChIInChI=1S/C20H16BrF2NO2/c1-13-9-18(26-12-15-7-8-16(22)10-17(15)23)19(21)20(25)24(13)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyLUVJHJDVISUMCN-UHFFFAOYSA-N
XLogP4.82
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.25
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The IUPAC name of 1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (CID 22050197) is 1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The canonical SMILES for 1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The InChIKey is LUVJHJDVISUMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrF2NO2/c1-13-9-18(26-12-15-7-8-16(22)10-17(15)23)19(21)20(25)24(13)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 420.25 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 22050197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).