(3-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone

C17H14Cl2N2O — CID 1486794

IUPAC(3-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H14Cl2N2O/c18-14-8-6-12(7-9-14)16-5-2-10-21(20-16)17(22)13-3-1-4-15(19)11-13/h1,3-4,6-9,11H,2,5,10H2
InChIKeyGRJNABPGYLAGPR-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.63
Rot. Bonds2

About (3-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone

(3-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone (PubChem CID 1486794) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is (3-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
PubChem CID1486794
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name(3-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H14Cl2N2O/c18-14-8-6-12(7-9-14)16-5-2-10-21(20-16)17(22)13-3-1-4-15(19)11-13/h1,3-4,6-9,11H,2,5,10H2
InChIKeyGRJNABPGYLAGPR-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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CID 2267
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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-methylphthalazin-1(2H)-one
CID 11522042
1-benzoyl-5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 4685291
(S)-Azelastine
CID 12831281
Desmethylazelastine
CID 162558
4-(4-chlorobenzyl)-2-allylphthalazin-1(2H)-one
CID 15959119
4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 15254720
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

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone (CID 1486794) is (3-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone is O=C(c1cccc(Cl)c1)N1CCCC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of (3-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
The InChIKey is GRJNABPGYLAGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c18-14-8-6-12(7-9-14)16-5-2-10-21(20-16)17(22)13-3-1-4-15(19)11-13/h1,3-4,6-9,11H,2,5,10H2.
What are the key properties of (3-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
(3-chlorophenyl)-[6-(4-chlorophenyl)-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-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone is sourced from PubChem (CID 1486794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).