2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

C16H16Cl2N4O3 — CID 4826948

IUPAC2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)Cn2ncc(Cl)c(Cl)c2=O)c1C
InChIInChI=1S/C16H16Cl2N4O3/c1-9-4-3-5-12(10(9)2)21-13(23)7-19-14(24)8-22-16(25)15(18)11(17)6-20-22/h3-6H,7-8H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyWBMLQXHJJFLBKV-UHFFFAOYSA-N
MW383.24 g/mol
LogP1.92
Rot. Bonds5

About 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 4826948) has the molecular formula C16H16Cl2N4O3 and a molecular weight of 383.24 g/mol. Its IUPAC name is 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID4826948
Molecular FormulaC16H16Cl2N4O3
Molecular Weight383.24 g/mol
Exact Mass382.06
IUPAC Name2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)Cn2ncc(Cl)c(Cl)c2=O)c1C
InChIInChI=1S/C16H16Cl2N4O3/c1-9-4-3-5-12(10(9)2)21-13(23)7-19-14(24)8-22-16(25)15(18)11(17)6-20-22/h3-6H,7-8H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyWBMLQXHJJFLBKV-UHFFFAOYSA-N
XLogP1.92
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (CID 4826948) is 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CNC(=O)Cn2ncc(Cl)c(Cl)c2=O)c1C.
What is the InChIKey of 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is WBMLQXHJJFLBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O3/c1-9-4-3-5-12(10(9)2)21-13(23)7-19-14(24)8-22-16(25)15(18)11(17)6-20-22/h3-6H,7-8H2,1-2H3,(H,19,24)(H,21,23).
What are the key properties of 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 383.24 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 4826948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).