2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide

C12H7Cl2F2N3O2 — CID 2585171

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1c(F)cccc1F
InChIInChI=1S/C12H7Cl2F2N3O2/c13-6-4-17-19(12(21)10(6)14)5-9(20)18-11-7(15)2-1-3-8(11)16/h1-4H,5H2,(H,18,20)
InChIKeyGHYGIDDSHROXQH-UHFFFAOYSA-N
MW334.11 g/mol
LogP2.47
Rot. Bonds3

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide (PubChem CID 2585171) has the molecular formula C12H7Cl2F2N3O2 and a molecular weight of 334.11 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide
PubChem CID2585171
Molecular FormulaC12H7Cl2F2N3O2
Molecular Weight334.11 g/mol
Exact Mass332.99
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1c(F)cccc1F
InChIInChI=1S/C12H7Cl2F2N3O2/c13-6-4-17-19(12(21)10(6)14)5-9(20)18-11-7(15)2-1-3-8(11)16/h1-4H,5H2,(H,18,20)
InChIKeyGHYGIDDSHROXQH-UHFFFAOYSA-N
XLogP2.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2098968
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 5236251
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)acetamide
CID 3647379
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide
CID 2096926
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2585112
4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 2736823
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2701052
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2408214
N-butan-2-yl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 18776930
N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2585062
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-sulfamoylphenyl)acetamide
CID 2106745

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide (CID 2585171) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is GHYGIDDSHROXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2N3O2/c13-6-4-17-19(12(21)10(6)14)5-9(20)18-11-7(15)2-1-3-8(11)16/h1-4H,5H2,(H,18,20).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide has a molecular weight of 334.11 g/mol, XLogP of 2.47, 3 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-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 2585171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).