2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide

C17H13F2N3O2S — CID 16905668

IUPAC2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)c1c(F)cccc1F
InChIInChI=1S/C17H13F2N3O2S/c18-11-3-1-4-12(19)16(11)17(24)20-8-9-22-15(23)7-6-13(21-22)14-5-2-10-25-14/h1-7,10H,8-9H2,(H,20,24)
InChIKeyIPPGAVVWYTZUTB-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.68
Rot. Bonds5

About 2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide

2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide (PubChem CID 16905668) has the molecular formula C17H13F2N3O2S and a molecular weight of 361.37 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
PubChem CID16905668
Molecular FormulaC17H13F2N3O2S
Molecular Weight361.37 g/mol
Exact Mass361.07
IUPAC Name2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)c1c(F)cccc1F
InChIInChI=1S/C17H13F2N3O2S/c18-11-3-1-4-12(19)16(11)17(24)20-8-9-22-15(23)7-6-13(21-22)14-5-2-10-25-14/h1-7,10H,8-9H2,(H,20,24)
InChIKeyIPPGAVVWYTZUTB-UHFFFAOYSA-N
XLogP2.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide (CID 16905668) is 2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide is O=C(NCCn1nc(-c2cccs2)ccc1=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
The InChIKey is IPPGAVVWYTZUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2S/c18-11-3-1-4-12(19)16(11)17(24)20-8-9-22-15(23)7-6-13(21-22)14-5-2-10-25-14/h1-7,10H,8-9H2,(H,20,24).
What are the key properties of 2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide has a molecular weight of 361.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 16905668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).