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

C13H9Cl4N3O2 — CID 4277387

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl4N3O2/c14-8-2-1-7(9(15)3-8)4-18-11(21)6-20-13(22)12(17)10(16)5-19-20/h1-3,5H,4,6H2,(H,18,21)
InChIKeyVKRVGKSXMLYHTJ-UHFFFAOYSA-N
MW381.05 g/mol
LogP3.17
Rot. Bonds4

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

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide (PubChem CID 4277387) has the molecular formula C13H9Cl4N3O2 and a molecular weight of 381.05 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide
PubChem CID4277387
Molecular FormulaC13H9Cl4N3O2
Molecular Weight381.05 g/mol
Exact Mass378.94
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl4N3O2/c14-8-2-1-7(9(15)3-8)4-18-11(21)6-20-13(22)12(17)10(16)5-19-20/h1-3,5H,4,6H2,(H,18,21)
InChIKeyVKRVGKSXMLYHTJ-UHFFFAOYSA-N
XLogP3.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.05
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one
CID 166162766
2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9492221
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 2585171
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 8862190
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896722
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 26217336
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16531593
N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2585062
N-butan-2-yl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 18776930
(4,5-dichloro-6-oxopyridazin-1-yl)methyl 2,4-dichlorobenzoate
CID 75176335
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2701039

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide (CID 4277387) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The InChIKey is VKRVGKSXMLYHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl4N3O2/c14-8-2-1-7(9(15)3-8)4-18-11(21)6-20-13(22)12(17)10(16)5-19-20/h1-3,5H,4,6H2,(H,18,21).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide has a molecular weight of 381.05 g/mol, XLogP of 3.17, 4 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-[(2,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 4277387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).