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

C15H14Cl2N4O3 — CID 2585015

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)c1
InChIInChI=1S/C15H14Cl2N4O3/c1-8-3-4-11(9(2)5-8)19-15(24)20-12(22)7-21-14(23)13(17)10(16)6-18-21/h3-6H,7H2,1-2H3,(H2,19,20,22,24)
InChIKeyDXEABTQAJRNCIN-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.52
Rot. Bonds3

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

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide (PubChem CID 2585015) has the molecular formula C15H14Cl2N4O3 and a molecular weight of 369.21 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
PubChem CID2585015
Molecular FormulaC15H14Cl2N4O3
Molecular Weight369.21 g/mol
Exact Mass368.04
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)c1
InChIInChI=1S/C15H14Cl2N4O3/c1-8-3-4-11(9(2)5-8)19-15(24)20-12(22)7-21-14(23)13(17)10(16)6-18-21/h3-6H,7H2,1-2H3,(H2,19,20,22,24)
InChIKeyDXEABTQAJRNCIN-UHFFFAOYSA-N
XLogP2.52
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 2365320
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16531593
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 162727955
N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014671
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide
CID 162727267
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8862090
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7844572
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 5236251
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9492234
2-(2,6-dimethylmorpholin-4-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 51170490
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 18083622
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 4277387

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide (CID 2585015) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide is Cc1ccc(NC(=O)NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)c1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The InChIKey is DXEABTQAJRNCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O3/c1-8-3-4-11(9(2)5-8)19-15(24)20-12(22)7-21-14(23)13(17)10(16)6-18-21/h3-6H,7H2,1-2H3,(H2,19,20,22,24).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide has a molecular weight of 369.21 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 2585015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).