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

C20H17ClN4O3 — CID 7659832

IUPACN-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C20H17ClN4O3/c1-13(26)22-16-6-8-17(9-7-16)23-19(27)12-25-20(28)11-10-18(24-25)14-2-4-15(21)5-3-14/h2-11H,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyNDSYTKPPJNDPQE-UHFFFAOYSA-N
MW396.83 g/mol
LogP3.16
Rot. Bonds5

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

N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7659832) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7659832
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC NameN-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C20H17ClN4O3/c1-13(26)22-16-6-8-17(9-7-16)23-19(27)12-25-20(28)11-10-18(24-25)14-2-4-15(21)5-3-14/h2-11H,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyNDSYTKPPJNDPQE-UHFFFAOYSA-N
XLogP3.16
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663387
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 121051659
N-(4-bromo-3-methylphenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051666
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 121051681
N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609017
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 121051625
N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663125
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7659850
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247819
N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884702
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 7659865

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide (CID 7659832) is N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide is CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is NDSYTKPPJNDPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-13(26)22-16-6-8-17(9-7-16)23-19(27)12-25-20(28)11-10-18(24-25)14-2-4-15(21)5-3-14/h2-11H,12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 396.83 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7659832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).