2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one

C19H16Cl2N2O — CID 1471708

IUPAC2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(/C=C/c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H16Cl2N2O/c20-17-10-7-15(12-18(17)21)13-23-19(24)11-9-16(22-23)8-6-14-4-2-1-3-5-14/h1-8,10,12H,9,11,13H2/b8-6+
InChIKeyUGQLQYCGDGFRJZ-SOFGYWHQSA-N
MW359.26 g/mol
LogP5.19
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one

2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one (PubChem CID 1471708) has the molecular formula C19H16Cl2N2O and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one
PubChem CID1471708
Molecular FormulaC19H16Cl2N2O
Molecular Weight359.26 g/mol
Exact Mass358.06
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(/C=C/c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H16Cl2N2O/c20-17-10-7-15(12-18(17)21)13-23-19(24)11-9-16(22-23)8-6-14-4-2-1-3-5-14/h1-8,10,12H,9,11,13H2/b8-6+
InChIKeyUGQLQYCGDGFRJZ-SOFGYWHQSA-N
XLogP5.19
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one (CID 1471708) is 2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one is O=C1CCC(/C=C/c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
The InChIKey is UGQLQYCGDGFRJZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H16Cl2N2O/c20-17-10-7-15(12-18(17)21)13-23-19(24)11-9-16(22-23)8-6-14-4-2-1-3-5-14/h1-8,10,12H,9,11,13H2/b8-6+.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one has a molecular weight of 359.26 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 1471708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).