2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide

C19H16ClN3O2 — CID 56921156

IUPAC2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)cc1
InChIInChI=1S/C19H16ClN3O2/c1-13-5-7-16(8-6-13)21-18(24)12-23-19(25)10-9-17(22-23)14-3-2-4-15(20)11-14/h2-11H,12H2,1H3,(H,21,24)
InChIKeyJTKKPFYNMZZNTR-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.51
Rot. Bonds4

About 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide

2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 56921156) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID56921156
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)cc1
InChIInChI=1S/C19H16ClN3O2/c1-13-5-7-16(8-6-13)21-18(24)12-23-19(25)10-9-17(22-23)14-3-2-4-15(20)11-14/h2-11H,12H2,1H3,(H,21,24)
InChIKeyJTKKPFYNMZZNTR-UHFFFAOYSA-N
XLogP3.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one
CID 51363271
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609017
N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659832
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
N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide
CID 176729756
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
N-(4-chlorophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663387
N-(4-methylphenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7671928
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 121051625

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide (CID 56921156) is 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)cc1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is JTKKPFYNMZZNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-13-5-7-16(8-6-13)21-18(24)12-23-19(25)10-9-17(22-23)14-3-2-4-15(20)11-14/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide?
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 353.81 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 56921156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).