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

C13H9Cl2F2N3O3 — CID 2408214

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H9Cl2F2N3O3/c14-9-5-18-20(12(22)11(9)15)6-10(21)19-7-1-3-8(4-2-7)23-13(16)17/h1-5,13H,6H2,(H,19,21)
InChIKeyOMMZZPZTSJQHSH-UHFFFAOYSA-N
MW364.14 g/mol
LogP2.79
Rot. Bonds5

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

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 2408214) has the molecular formula C13H9Cl2F2N3O3 and a molecular weight of 364.14 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID2408214
Molecular FormulaC13H9Cl2F2N3O3
Molecular Weight364.14 g/mol
Exact Mass363.00
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H9Cl2F2N3O3/c14-9-5-18-20(12(22)11(9)15)6-10(21)19-7-1-3-8(4-2-7)23-13(16)17/h1-5,13H,6H2,(H,19,21)
InChIKeyOMMZZPZTSJQHSH-UHFFFAOYSA-N
XLogP2.79
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16531593
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide
CID 2096926
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2106745
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2086642
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520668
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 2585171
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]-3-methylbutanamide
CID 8862363
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-oxo-1H-quinolin-7-yl)acetamide
CID 162728119
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)acetamide
CID 3647379
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-pentan-3-ylsulfanylphenyl)acetamide
CID 162727130
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide
CID 2539129
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[2-(2-methoxyethoxy)ethylamino]sulfanyl-4-methylphenyl]acetamide
CID 162727439

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide (CID 2408214) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is OMMZZPZTSJQHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N3O3/c14-9-5-18-20(12(22)11(9)15)6-10(21)19-7-1-3-8(4-2-7)23-13(16)17/h1-5,13H,6H2,(H,19,21).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 364.14 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 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-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 2408214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).