2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide

C12H10FN3O — CID 118560621

IUPAC2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide
SMILESNC(=O)C(F)(c1ccccc1)c1cccnn1
InChIInChI=1S/C12H10FN3O/c13-12(11(14)17,9-5-2-1-3-6-9)10-7-4-8-15-16-10/h1-8H,(H2,14,17)
InChIKeyHOGLTKZODYERIR-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.17
Rot. Bonds3

About 2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide

2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide (PubChem CID 118560621) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide.

Molecular Properties

Compound Name2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide
PubChem CID118560621
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide
SMILESNC(=O)C(F)(c1ccccc1)c1cccnn1
InChIInChI=1S/C12H10FN3O/c13-12(11(14)17,9-5-2-1-3-6-9)10-7-4-8-15-16-10/h1-8H,(H2,14,17)
InChIKeyHOGLTKZODYERIR-UHFFFAOYSA-N
XLogP1.17
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide?
The IUPAC name of 2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide (CID 118560621) is 2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide.
What is the SMILES notation for 2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide?
The canonical SMILES for 2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide is NC(=O)C(F)(c1ccccc1)c1cccnn1.
What is the InChIKey of 2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide?
The InChIKey is HOGLTKZODYERIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c13-12(11(14)17,9-5-2-1-3-6-9)10-7-4-8-15-16-10/h1-8H,(H2,14,17).
What are the key properties of 2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide?
2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide has a molecular weight of 231.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-phenyl-2-pyridazin-3-ylacetamide is sourced from PubChem (CID 118560621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).