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

C17H14Cl2N2O — CID 10759031

IUPAC2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2O/c18-14-7-6-12(10-15(14)19)11-21-17(22)9-8-16(20-21)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2
InChIKeyXRTUUNGHUVPNHC-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.52
Rot. Bonds3

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

2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 10759031) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one
PubChem CID10759031
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2O/c18-14-7-6-12(10-15(14)19)11-21-17(22)9-8-16(20-21)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2
InChIKeyXRTUUNGHUVPNHC-UHFFFAOYSA-N
XLogP4.52
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.52
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
4-(4-chlorobenzyl)-2-allylphthalazin-1(2H)-one
CID 15959119
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-[(3,4-Dichlorophenyl)methyl]phthalazin-1-one
CID 8933841
[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
1-(3,4-Dichlorobenzoyl)-3-phenyl-1,4,5,6-tetrahydropyridazine
CID 3831396
(3,4-Dichloro-phenyl)-(5-methyl-3-phenyl-5,6-dihydro-4H-pyridazin-1-yl)-methanone
CID 10665308
N-benzoyl-5-(-3'-chloro phenyl)-3-phenylpyrazoline (2c)
CID 84973181
(4-chlorophenyl)[3-phenyl-5,6-dihydro-1(4H)-pyridazinyl]methanone
CID 1484237
(3-chlorophenyl)[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl]methanone
CID 1486794

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one (CID 10759031) is 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one is O=C1CCC(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is XRTUUNGHUVPNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c18-14-7-6-12(10-15(14)19)11-21-17(22)9-8-16(20-21)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one?
2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 333.22 g/mol, XLogP of 4.52, 3 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-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 10759031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).