3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one

C20H17BrFNO3 — CID 11486898

IUPAC3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one
SMILESCOc1ccc(COc2ccn(Cc3cccc(F)c3)c(=O)c2Br)cc1
InChIInChI=1S/C20H17BrFNO3/c1-25-17-7-5-14(6-8-17)13-26-18-9-10-23(20(24)19(18)21)12-15-3-2-4-16(22)11-15/h2-11H,12-13H2,1H3
InChIKeyFOUIVUNKNBWKBY-UHFFFAOYSA-N
MW418.26 g/mol
LogP4.39
Rot. Bonds6

About 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one

3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one (PubChem CID 11486898) has the molecular formula C20H17BrFNO3 and a molecular weight of 418.26 g/mol. Its IUPAC name is 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one
PubChem CID11486898
Molecular FormulaC20H17BrFNO3
Molecular Weight418.26 g/mol
Exact Mass417.04
IUPAC Name3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one
SMILESCOc1ccc(COc2ccn(Cc3cccc(F)c3)c(=O)c2Br)cc1
InChIInChI=1S/C20H17BrFNO3/c1-25-17-7-5-14(6-8-17)13-26-18-9-10-23(20(24)19(18)21)12-15-3-2-4-16(22)11-15/h2-11H,12-13H2,1H3
InChIKeyFOUIVUNKNBWKBY-UHFFFAOYSA-N
XLogP4.39
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.26
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one (CID 11486898) is 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one is COc1ccc(COc2ccn(Cc3cccc(F)c3)c(=O)c2Br)cc1.
What is the InChIKey of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one?
The InChIKey is FOUIVUNKNBWKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFNO3/c1-25-17-7-5-14(6-8-17)13-26-18-9-10-23(20(24)19(18)21)12-15-3-2-4-16(22)11-15/h2-11H,12-13H2,1H3.
What are the key properties of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one?
3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one has a molecular weight of 418.26 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 11486898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).