2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide

C13H11Cl3N4O2 — CID 154859378

IUPAC2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C13H11Cl3N4O2/c1-20(9-5-17-19-13(22)11(9)16)6-10(21)18-12-7(14)3-2-4-8(12)15/h2-5H,6H2,1H3,(H,18,21)(H,19,22)
InChIKeyBTKHIAVOPXLOOF-UHFFFAOYSA-N
MW361.62 g/mol
LogP2.81
Rot. Bonds4

About 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide

2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide (PubChem CID 154859378) has the molecular formula C13H11Cl3N4O2 and a molecular weight of 361.62 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide
PubChem CID154859378
Molecular FormulaC13H11Cl3N4O2
Molecular Weight361.62 g/mol
Exact Mass359.99
IUPAC Name2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C13H11Cl3N4O2/c1-20(9-5-17-19-13(22)11(9)16)6-10(21)18-12-7(14)3-2-4-8(12)15/h2-5H,6H2,1H3,(H,18,21)(H,19,22)
InChIKeyBTKHIAVOPXLOOF-UHFFFAOYSA-N
XLogP2.81
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-(5-chloro-N,2-dimethylanilino)-N-(2-chloro-6-methylphenyl)acetamide
CID 90930035
N-(2,6-dichlorophenyl)-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide
CID 133424150
N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195570
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
N-(2,6-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 51225789
N-(2,6-dichlorophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 115577163
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
N-(2,6-dichlorophenyl)-2-sulfanylacetamide
CID 14567957
2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 63646991
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 31713038
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide (CID 154859378) is 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)c1cn[nH]c(=O)c1Cl.
What is the InChIKey of 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is BTKHIAVOPXLOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N4O2/c1-20(9-5-17-19-13(22)11(9)16)6-10(21)18-12-7(14)3-2-4-8(12)15/h2-5H,6H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide?
2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 361.62 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 154859378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).