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

C17H14FN3O2S — CID 16905666

IUPAC3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)c1cccc(F)c1
InChIInChI=1S/C17H14FN3O2S/c18-13-4-1-3-12(11-13)17(23)19-8-9-21-16(22)7-6-14(20-21)15-5-2-10-24-15/h1-7,10-11H,8-9H2,(H,19,23)
InChIKeyOBQSWUIUOGFHDF-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.54
Rot. Bonds5

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

3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide (PubChem CID 16905666) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
PubChem CID16905666
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)c1cccc(F)c1
InChIInChI=1S/C17H14FN3O2S/c18-13-4-1-3-12(11-13)17(23)19-8-9-21-16(22)7-6-14(20-21)15-5-2-10-24-15/h1-7,10-11H,8-9H2,(H,19,23)
InChIKeyOBQSWUIUOGFHDF-UHFFFAOYSA-N
XLogP2.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide (CID 16905666) is 3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide is O=C(NCCn1nc(-c2cccs2)ccc1=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
The InChIKey is OBQSWUIUOGFHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-13-4-1-3-12(11-13)17(23)19-8-9-21-16(22)7-6-14(20-21)15-5-2-10-24-15/h1-7,10-11H,8-9H2,(H,19,23).
What are the key properties of 3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide has a molecular weight of 343.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 16905666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).