6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one

C19H15ClN2O2 — CID 51363271

IUPAC6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCc1ccc(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)cc1
InChIInChI=1S/C19H15ClN2O2/c1-13-5-7-14(8-6-13)18(23)12-22-19(24)10-9-17(21-22)15-3-2-4-16(20)11-15/h2-11H,12H2,1H3
InChIKeyJVSXEDSHVOYLAM-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.76
Rot. Bonds4

About 6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one

6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one (PubChem CID 51363271) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one
PubChem CID51363271
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCc1ccc(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)cc1
InChIInChI=1S/C19H15ClN2O2/c1-13-5-7-14(8-6-13)18(23)12-22-19(24)10-9-17(21-22)15-3-2-4-16(20)11-15/h2-11H,12H2,1H3
InChIKeyJVSXEDSHVOYLAM-UHFFFAOYSA-N
XLogP3.76
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one
CID 51363277
6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
CID 51363284
6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one
CID 51363280
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
2-[3-(3-methylphenyl)-6-oxopyridazin-1-yl]acetic acid
CID 56770636
N-(2-bromophenyl)-2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224565
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3685474
6-(3-chlorophenyl)-2-methylpyridazin-3-one
CID 102592574
2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 51100618
N-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050600
2-[2-(4-bromophenyl)-2-oxoethyl]-6-(4-methylsulfanylphenyl)pyridazin-3-one
CID 51044854
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one (CID 51363271) is 6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one is Cc1ccc(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)cc1.
What is the InChIKey of 6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is JVSXEDSHVOYLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-13-5-7-14(8-6-13)18(23)12-22-19(24)10-9-17(21-22)15-3-2-4-16(20)11-15/h2-11H,12H2,1H3.
What are the key properties of 6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one?
6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 338.79 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 51363271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).