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

C19H14Cl3NO2 — CID 54686149

IUPAC1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl3NO2/c20-14-4-1-12(2-5-14)11-23-8-7-18(24)16(19(23)25)9-13-3-6-15(21)10-17(13)22/h1-8,10,24H,9,11H2
InChIKeyCDDVFLGZHCTJKG-UHFFFAOYSA-N
MW394.69 g/mol
LogP5.15
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one (PubChem CID 54686149) has the molecular formula C19H14Cl3NO2 and a molecular weight of 394.69 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one
PubChem CID54686149
Molecular FormulaC19H14Cl3NO2
Molecular Weight394.69 g/mol
Exact Mass393.01
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl3NO2/c20-14-4-1-12(2-5-14)11-23-8-7-18(24)16(19(23)25)9-13-3-6-15(21)10-17(13)22/h1-8,10,24H,9,11H2
InChIKeyCDDVFLGZHCTJKG-UHFFFAOYSA-N
XLogP5.15
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.69
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one (CID 54686149) is 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one is O=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one?
The InChIKey is CDDVFLGZHCTJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3NO2/c20-14-4-1-12(2-5-14)11-23-8-7-18(24)16(19(23)25)9-13-3-6-15(21)10-17(13)22/h1-8,10,24H,9,11H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one?
1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one has a molecular weight of 394.69 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 54686149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).