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

C19H15Cl2NO2 — CID 54679272

IUPAC1-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2)c(O)ccn1Cc1cccc(Cl)c1
InChIInChI=1S/C19H15Cl2NO2/c20-15-6-4-13(5-7-15)11-17-18(23)8-9-22(19(17)24)12-14-2-1-3-16(21)10-14/h1-10,23H,11-12H2
InChIKeyIDXHNSRCDIQBAK-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.50
Rot. Bonds4

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

1-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one (PubChem CID 54679272) has the molecular formula C19H15Cl2NO2 and a molecular weight of 360.24 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one
PubChem CID54679272
Molecular FormulaC19H15Cl2NO2
Molecular Weight360.24 g/mol
Exact Mass359.05
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2)c(O)ccn1Cc1cccc(Cl)c1
InChIInChI=1S/C19H15Cl2NO2/c20-15-6-4-13(5-7-15)11-17-18(23)8-9-22(19(17)24)12-14-2-1-3-16(21)10-14/h1-10,23H,11-12H2
InChIKeyIDXHNSRCDIQBAK-UHFFFAOYSA-N
XLogP4.50
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.50
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-chlorophenyl)methyl]-4-hydroxypyridin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one (CID 54679272) is 1-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one is O=c1c(Cc2ccc(Cl)cc2)c(O)ccn1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one?
The InChIKey is IDXHNSRCDIQBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO2/c20-15-6-4-13(5-7-15)11-17-18(23)8-9-22(19(17)24)12-14-2-1-3-16(21)10-14/h1-10,23H,11-12H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one?
1-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one has a molecular weight of 360.24 g/mol, XLogP of 4.50, 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-chlorophenyl)methyl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 54679272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).