6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one

C20H17ClN2O2 — CID 51363277

IUPAC6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCc1ccc(C)c(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)c1
InChIInChI=1S/C20H17ClN2O2/c1-13-6-7-14(2)17(10-13)19(24)12-23-20(25)9-8-18(22-23)15-4-3-5-16(21)11-15/h3-11H,12H2,1-2H3
InChIKeyRZBOPLLSACMOJY-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.06
Rot. Bonds4

About 6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one

6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one (PubChem CID 51363277) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one
PubChem CID51363277
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCc1ccc(C)c(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)c1
InChIInChI=1S/C20H17ClN2O2/c1-13-6-7-14(2)17(10-13)19(24)12-23-20(25)9-8-18(22-23)15-4-3-5-16(21)11-15/h3-11H,12H2,1-2H3
InChIKeyRZBOPLLSACMOJY-UHFFFAOYSA-N
XLogP4.06
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one
CID 51363280
6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one
CID 51363271
6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
CID 51363284
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 51100618
2-[3-(3-methylphenyl)-6-oxopyridazin-1-yl]acetic acid
CID 56770636
2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-(2,5-dimethylphenyl)ethanone
CID 9420954
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
3-[3-(3-methylphenyl)-6-oxopyridazin-1-yl]propanoic acid
CID 56770644
2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 51075110

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one (CID 51363277) is 6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one is Cc1ccc(C)c(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)c1.
What is the InChIKey of 6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is RZBOPLLSACMOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-13-6-7-14(2)17(10-13)19(24)12-23-20(25)9-8-18(22-23)15-4-3-5-16(21)11-15/h3-11H,12H2,1-2H3.
What are the key properties of 6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one?
6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 352.82 g/mol, XLogP of 4.06, 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-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 51363277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).