2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide

C12H8ClF2N3O — CID 58961242

IUPAC2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide
SMILESNC(=O)C(c1ccc(Cl)nn1)c1c(F)cccc1F
InChIInChI=1S/C12H8ClF2N3O/c13-9-5-4-8(17-18-9)11(12(16)19)10-6(14)2-1-3-7(10)15/h1-5,11H,(H2,16,19)
InChIKeyXPMCTRNZDJTFFP-UHFFFAOYSA-N
MW283.67 g/mol
LogP2.03
Rot. Bonds3

About 2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide

2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide (PubChem CID 58961242) has the molecular formula C12H8ClF2N3O and a molecular weight of 283.67 g/mol. Its IUPAC name is 2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide
PubChem CID58961242
Molecular FormulaC12H8ClF2N3O
Molecular Weight283.67 g/mol
Exact Mass283.03
IUPAC Name2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide
SMILESNC(=O)C(c1ccc(Cl)nn1)c1c(F)cccc1F
InChIInChI=1S/C12H8ClF2N3O/c13-9-5-4-8(17-18-9)11(12(16)19)10-6(14)2-1-3-7(10)15/h1-5,11H,(H2,16,19)
InChIKeyXPMCTRNZDJTFFP-UHFFFAOYSA-N
XLogP2.03
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide (CID 58961242) is 2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide is NC(=O)C(c1ccc(Cl)nn1)c1c(F)cccc1F.
What is the InChIKey of 2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide?
The InChIKey is XPMCTRNZDJTFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N3O/c13-9-5-4-8(17-18-9)11(12(16)19)10-6(14)2-1-3-7(10)15/h1-5,11H,(H2,16,19).
What are the key properties of 2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide?
2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide has a molecular weight of 283.67 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-3-yl)-2-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 58961242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).