(3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone

C17H14Cl2N2O — CID 3831396

IUPAC(3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccccc2)=N1
InChIInChI=1S/C17H14Cl2N2O/c18-14-9-8-13(11-15(14)19)17(22)21-10-4-7-16(20-21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyIIURABUWDUCHOI-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.63
Rot. Bonds2

About (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone

(3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone (PubChem CID 3831396) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
PubChem CID3831396
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name(3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccccc2)=N1
InChIInChI=1S/C17H14Cl2N2O/c18-14-9-8-13(11-15(14)19)17(22)21-10-4-7-16(20-21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyIIURABUWDUCHOI-UHFFFAOYSA-N
XLogP4.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(4-Chlorophenyl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethyl]phthalazin-1-one
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4-(4-chlorobenzyl)-2-allylphthalazin-1(2H)-one
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1-benzoyl-5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
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(S)-Azelastine
CID 12831281
4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
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4-[(4-Chlorophenyl)methyl]-2-(1-methylpiperidin-4-yl)phthalazin-1-one
CID 52937222
4-[(4-chlorophenyl)methyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937830
2-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one
CID 71461781

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone (CID 3831396) is (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccccc2)=N1.
What is the InChIKey of (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The InChIKey is IIURABUWDUCHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c18-14-9-8-13(11-15(14)19)17(22)21-10-4-7-16(20-21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2.
What are the key properties of (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
(3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone has a molecular weight of 333.22 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone is sourced from PubChem (CID 3831396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).