N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide

C20H17Cl2N3O2 — CID 7672207

IUPACN-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(C)c(-c2ccc(=O)n(CC(=O)Nc3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C20H17Cl2N3O2/c1-12-6-7-13(2)14(10-12)16-8-9-19(27)25(24-16)11-18(26)23-17-5-3-4-15(21)20(17)22/h3-10H,11H2,1-2H3,(H,23,26)
InChIKeyISLGIUKKIBLOBS-UHFFFAOYSA-N
MW402.28 g/mol
LogP4.47
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide

N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7672207) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7672207
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC NameN-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(C)c(-c2ccc(=O)n(CC(=O)Nc3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C20H17Cl2N3O2/c1-12-6-7-13(2)14(10-12)16-8-9-19(27)25(24-16)11-18(26)23-17-5-3-4-15(21)20(17)22/h3-10H,11H2,1-2H3,(H,23,26)
InChIKeyISLGIUKKIBLOBS-UHFFFAOYSA-N
XLogP4.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7672039
N-(2-chloro-4-methylphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609008
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 7672092
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 121051950
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
CID 121051905
N-(2,3-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052763
methyl 4-[[2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7672095
N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662383
N-(4-methylphenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7671928
N-(3-chloro-2-methylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662903
N-[5-[1-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 27261976
N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 46263010

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 7672207) is N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(C)c(-c2ccc(=O)n(CC(=O)Nc3cccc(Cl)c3Cl)n2)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is ISLGIUKKIBLOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c1-12-6-7-13(2)14(10-12)16-8-9-19(27)25(24-16)11-18(26)23-17-5-3-4-15(21)20(17)22/h3-10H,11H2,1-2H3,(H,23,26).
What are the key properties of N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 402.28 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7672207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).