1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one

C19H14Cl2FNO2 — CID 54687591

IUPAC1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2FNO2/c20-14-4-3-13(17(21)10-14)11-23-8-7-18(24)16(19(23)25)9-12-1-5-15(22)6-2-12/h1-8,10,24H,9,11H2
InChIKeyMAEWBHPRDHUYOQ-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.64
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one

1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one (PubChem CID 54687591) has the molecular formula C19H14Cl2FNO2 and a molecular weight of 378.23 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
PubChem CID54687591
Molecular FormulaC19H14Cl2FNO2
Molecular Weight378.23 g/mol
Exact Mass377.04
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2FNO2/c20-14-4-3-13(17(21)10-14)11-23-8-7-18(24)16(19(23)25)9-12-1-5-15(22)6-2-12/h1-8,10,24H,9,11H2
InChIKeyMAEWBHPRDHUYOQ-UHFFFAOYSA-N
XLogP4.64
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one (CID 54687591) is 1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one is O=c1c(Cc2ccc(F)cc2)c(O)ccn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The InChIKey is MAEWBHPRDHUYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FNO2/c20-14-4-3-13(17(21)10-14)11-23-8-7-18(24)16(19(23)25)9-12-1-5-15(22)6-2-12/h1-8,10,24H,9,11H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one has a molecular weight of 378.23 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 54687591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).