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

C19H15ClFNO2 — CID 54677652

IUPAC1-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1Cc1cccc(Cl)c1
InChIInChI=1S/C19H15ClFNO2/c20-15-3-1-2-14(10-15)12-22-9-8-18(23)17(19(22)24)11-13-4-6-16(21)7-5-13/h1-10,23H,11-12H2
InChIKeyYLPBIISHELCFJM-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.99
Rot. Bonds4

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

1-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one (PubChem CID 54677652) has the molecular formula C19H15ClFNO2 and a molecular weight of 343.79 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
PubChem CID54677652
Molecular FormulaC19H15ClFNO2
Molecular Weight343.79 g/mol
Exact Mass343.08
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1Cc1cccc(Cl)c1
InChIInChI=1S/C19H15ClFNO2/c20-15-3-1-2-14(10-15)12-22-9-8-18(23)17(19(22)24)11-13-4-6-16(21)7-5-13/h1-10,23H,11-12H2
InChIKeyYLPBIISHELCFJM-UHFFFAOYSA-N
XLogP3.99
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one (CID 54677652) is 1-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one is O=c1c(Cc2ccc(F)cc2)c(O)ccn1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The InChIKey is YLPBIISHELCFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO2/c20-15-3-1-2-14(10-15)12-22-9-8-18(23)17(19(22)24)11-13-4-6-16(21)7-5-13/h1-10,23H,11-12H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
1-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one has a molecular weight of 343.79 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 54677652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).