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

C17H14Cl2N2O — CID 10854079

IUPAC(4-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H14Cl2N2O/c18-14-7-3-12(4-8-14)16-2-1-11-21(20-16)17(22)13-5-9-15(19)10-6-13/h3-10H,1-2,11H2
InChIKeyGNEMLJHVMXSODL-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.63
Rot. Bonds2

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

(4-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone (PubChem CID 10854079) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is (4-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
PubChem CID10854079
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name(4-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H14Cl2N2O/c18-14-7-3-12(4-8-14)16-2-1-11-21(20-16)17(22)13-5-9-15(19)10-6-13/h3-10H,1-2,11H2
InChIKeyGNEMLJHVMXSODL-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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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone (CID 10854079) is (4-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCCC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of (4-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
The InChIKey is GNEMLJHVMXSODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c18-14-7-3-12(4-8-14)16-2-1-11-21(20-16)17(22)13-5-9-15(19)10-6-13/h3-10H,1-2,11H2.
What are the key properties of (4-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
(4-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 (4-chlorophenyl)-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone is sourced from PubChem (CID 10854079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).