2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide

C16H11Cl2N3O2 — CID 2096926

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H11Cl2N3O2/c17-13-8-19-21(16(23)15(13)18)9-14(22)20-12-6-5-10-3-1-2-4-11(10)7-12/h1-8H,9H2,(H,20,22)
InChIKeyXSBMZQUFBKBERX-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.34
Rot. Bonds3

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide (PubChem CID 2096926) has the molecular formula C16H11Cl2N3O2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide
PubChem CID2096926
Molecular FormulaC16H11Cl2N3O2
Molecular Weight348.19 g/mol
Exact Mass347.02
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H11Cl2N3O2/c17-13-8-19-21(16(23)15(13)18)9-14(22)20-12-6-5-10-3-1-2-4-11(10)7-12/h1-8H,9H2,(H,20,22)
InChIKeyXSBMZQUFBKBERX-UHFFFAOYSA-N
XLogP3.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-oxo-1H-quinolin-7-yl)acetamide
CID 162728119
N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 3912719
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)acetamide
CID 3647379
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2408214
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2106745
N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2098968
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9492234
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2086642
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16531593
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 2585171
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 4810069
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-pentan-3-ylsulfanylphenyl)acetamide
CID 162727130

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide (CID 2096926) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide?
The InChIKey is XSBMZQUFBKBERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2/c17-13-8-19-21(16(23)15(13)18)9-14(22)20-12-6-5-10-3-1-2-4-11(10)7-12/h1-8H,9H2,(H,20,22).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide has a molecular weight of 348.19 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 2096926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).