6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one

C21H19ClN2O2 — CID 51363280

IUPAC6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one
SMILESCc1cc(C)c(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)cc1C
InChIInChI=1S/C21H19ClN2O2/c1-13-9-15(3)18(10-14(13)2)20(25)12-24-21(26)8-7-19(23-24)16-5-4-6-17(22)11-16/h4-11H,12H2,1-3H3
InChIKeyVSZXELLVIRXLFU-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.37
Rot. Bonds4

About 6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one

6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one (PubChem CID 51363280) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one
PubChem CID51363280
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one
SMILESCc1cc(C)c(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)cc1C
InChIInChI=1S/C21H19ClN2O2/c1-13-9-15(3)18(10-14(13)2)20(25)12-24-21(26)8-7-19(23-24)16-5-4-6-17(22)11-16/h4-11H,12H2,1-3H3
InChIKeyVSZXELLVIRXLFU-UHFFFAOYSA-N
XLogP4.37
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.37
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-(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-[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-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 51100618
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3685474
6-(3-chlorophenyl)-2-methylpyridazin-3-one
CID 102592574
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55870563
2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 166850822
3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 51366165

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one?
The IUPAC name of 6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one (CID 51363280) is 6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one is Cc1cc(C)c(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)cc1C.
What is the InChIKey of 6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one?
The InChIKey is VSZXELLVIRXLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-13-9-15(3)18(10-14(13)2)20(25)12-24-21(26)8-7-19(23-24)16-5-4-6-17(22)11-16/h4-11H,12H2,1-3H3.
What are the key properties of 6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one?
6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one has a molecular weight of 366.85 g/mol, XLogP of 4.37, 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-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one is sourced from PubChem (CID 51363280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).