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

C19H16ClNO2 — CID 54710105

IUPAC1-benzyl-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2)c(O)ccn1Cc1ccccc1
InChIInChI=1S/C19H16ClNO2/c20-16-8-6-14(7-9-16)12-17-18(22)10-11-21(19(17)23)13-15-4-2-1-3-5-15/h1-11,22H,12-13H2
InChIKeyFXUIXWIFCVHFCL-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.85
Rot. Bonds4

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

1-benzyl-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one (PubChem CID 54710105) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-benzyl-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one
PubChem CID54710105
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name1-benzyl-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2)c(O)ccn1Cc1ccccc1
InChIInChI=1S/C19H16ClNO2/c20-16-8-6-14(7-9-16)12-17-18(22)10-11-21(19(17)23)13-15-4-2-1-3-5-15/h1-11,22H,12-13H2
InChIKeyFXUIXWIFCVHFCL-UHFFFAOYSA-N
XLogP3.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one?
The IUPAC name of 1-benzyl-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one (CID 54710105) is 1-benzyl-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 1-benzyl-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one?
The canonical SMILES for 1-benzyl-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one is O=c1c(Cc2ccc(Cl)cc2)c(O)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one?
The InChIKey is FXUIXWIFCVHFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c20-16-8-6-14(7-9-16)12-17-18(22)10-11-21(19(17)23)13-15-4-2-1-3-5-15/h1-11,22H,12-13H2.
What are the key properties of 1-benzyl-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one?
1-benzyl-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one has a molecular weight of 325.80 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 54710105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).