6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one

C16H11Cl2N3O — CID 23647364

IUPAC6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one
SMILESO=c1ccc(Nc2ccccc2Cl)nn1-c1ccccc1Cl
InChIInChI=1S/C16H11Cl2N3O/c17-11-5-1-3-7-13(11)19-15-9-10-16(22)21(20-15)14-8-4-2-6-12(14)18/h1-10H,(H,19,20)
InChIKeyCTCMKHXUZYGYOL-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.28
Rot. Bonds3

About 6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one

6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one (PubChem CID 23647364) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is 6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one
PubChem CID23647364
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one
SMILESO=c1ccc(Nc2ccccc2Cl)nn1-c1ccccc1Cl
InChIInChI=1S/C16H11Cl2N3O/c17-11-5-1-3-7-13(11)19-15-9-10-16(22)21(20-15)14-8-4-2-6-12(14)18/h1-10H,(H,19,20)
InChIKeyCTCMKHXUZYGYOL-UHFFFAOYSA-N
XLogP4.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Chlorophenyl)-6-[(2-ethylphenyl)amino]-2,3-dihydropyridazin-3-one
CID 23647365
2-(2-Chlorophenyl)-6-[(2-methylphenyl)amino]-2,3-dihydropyridazin-3-one
CID 23647366
6-[(2-Chloro-4-fluorophenyl)(2-hydroxyethyl)amino]-2-(2-chlorophenyl)-2,3-dihydropyridazin-3-one
CID 23647372
6-[(3-Aminopropyl)(2-chlorophenyl)amino]-2-(2-chlorophenyl)-2,3-dihydropyridazin-3-one
CID 23647373
2-amino-N-{3-[(2-chlorophenyl)[1-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]amino]propyl}acetamide
CID 23647375
N-{3-[(2-chlorophenyl)[1-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]amino]propyl}-2-(methylamino)acetamide
CID 23647376
N-{3-[(2-chlorophenyl)[1-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]amino]propyl}piperidine-4-carboxamide
CID 23647378
N-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 940016
2-(2-Chlorophenyl)-6-{[(2-methylphenyl)methyl]amino}-2,3-dihydropyridazin-3-one
CID 23647371
N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-pyrrolidin-2-ylacetamide
CID 44419745
2-(2-Chlorophenyl)-6-(2-phenylanilino)pyridazin-3-one
CID 44419714
6-(2,6-Dichlorophenylamino)pyridazin-3(2h)-one
CID 54767950

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one?
The IUPAC name of 6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one (CID 23647364) is 6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one.
What is the SMILES notation for 6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one?
The canonical SMILES for 6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one is O=c1ccc(Nc2ccccc2Cl)nn1-c1ccccc1Cl.
What is the InChIKey of 6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one?
The InChIKey is CTCMKHXUZYGYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-11-5-1-3-7-13(11)19-15-9-10-16(22)21(20-15)14-8-4-2-6-12(14)18/h1-10H,(H,19,20).
What are the key properties of 6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one?
6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one has a molecular weight of 332.19 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroanilino)-2-(2-chlorophenyl)pyridazin-3-one is sourced from PubChem (CID 23647364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).