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

C19H17ClN2O — CID 1471706

IUPAC2-[(2-chlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(/C=C/c2ccccc2)=NN1Cc1ccccc1Cl
InChIInChI=1S/C19H17ClN2O/c20-18-9-5-4-8-16(18)14-22-19(23)13-12-17(21-22)11-10-15-6-2-1-3-7-15/h1-11H,12-14H2/b11-10+
InChIKeyCNUKJAQIUYMNAS-ZHACJKMWSA-N
MW324.81 g/mol
LogP4.53
Rot. Bonds4

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

2-[(2-chlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one (PubChem CID 1471706) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one
PubChem CID1471706
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name2-[(2-chlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(/C=C/c2ccccc2)=NN1Cc1ccccc1Cl
InChIInChI=1S/C19H17ClN2O/c20-18-9-5-4-8-16(18)14-22-19(23)13-12-17(21-22)11-10-15-6-2-1-3-7-15/h1-11H,12-14H2/b11-10+
InChIKeyCNUKJAQIUYMNAS-ZHACJKMWSA-N
XLogP4.53
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 4685291
N-formyl-5-(-2'-chlorophenyl)-3-phenylpyrazoline (1b)
CID 84973174
5-chloro-2-(4-chlorobenzyl)-6-phenyl-3(2H)-pyridazinone
CID 1472475
2-(2-chloro-6-fluorobenzyl)-6-phenyl-4,5-dihydropyridazin-3(2H)-one
CID 6624406
2-(2-chloro-6-fluorobenzyl)-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 7662570
2-(2-chloro-4-fluorobenzyl)-6-phenylpyridazin-3(2H)-one
CID 16014547
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](4-methylphenyl)methanone
CID 1486796
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](phenyl)methanone
CID 1488624
N-benzoyl-5-(-2'-chloro phenyl)-3-phenylpyrazoline (2b)
CID 84973180
N-benzoyl-5-(-3'-chloro phenyl)-3-phenylpyrazoline (2c)
CID 84973181
2-benzyl-6-styryl-4,5-dihydro-3(2H)-pyridazinone
CID 1472186
2-benzyl-6-(4-methylstyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475374

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one (CID 1471706) is 2-[(2-chlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one is O=C1CCC(/C=C/c2ccccc2)=NN1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
The InChIKey is CNUKJAQIUYMNAS-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-18-9-5-4-8-16(18)14-22-19(23)13-12-17(21-22)11-10-15-6-2-1-3-7-15/h1-11H,12-14H2/b11-10+.
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
2-[(2-chlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one has a molecular weight of 324.81 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 1471706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).