2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide

C15H13F2N3OS — CID 69435651

IUPAC2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide
SMILESC=CCSc1ccc(C(C(N)=O)c2c(F)cccc2F)nn1
InChIInChI=1S/C15H13F2N3OS/c1-2-8-22-12-7-6-11(19-20-12)14(15(18)21)13-9(16)4-3-5-10(13)17/h2-7,14H,1,8H2,(H2,18,21)
InChIKeyRHVORKXELTWEFT-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.65
Rot. Bonds6

About 2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide

2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide (PubChem CID 69435651) has the molecular formula C15H13F2N3OS and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide
PubChem CID69435651
Molecular FormulaC15H13F2N3OS
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide
SMILESC=CCSc1ccc(C(C(N)=O)c2c(F)cccc2F)nn1
InChIInChI=1S/C15H13F2N3OS/c1-2-8-22-12-7-6-11(19-20-12)14(15(18)21)13-9(16)4-3-5-10(13)17/h2-7,14H,1,8H2,(H2,18,21)
InChIKeyRHVORKXELTWEFT-UHFFFAOYSA-N
XLogP2.65
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide (CID 69435651) is 2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide is C=CCSc1ccc(C(C(N)=O)c2c(F)cccc2F)nn1.
What is the InChIKey of 2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide?
The InChIKey is RHVORKXELTWEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3OS/c1-2-8-22-12-7-6-11(19-20-12)14(15(18)21)13-9(16)4-3-5-10(13)17/h2-7,14H,1,8H2,(H2,18,21).
What are the key properties of 2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide?
2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide has a molecular weight of 321.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-2-(6-prop-2-enylsulfanylpyridazin-3-yl)acetamide is sourced from PubChem (CID 69435651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).