2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide

C18H16FN3O2S — CID 16675147

IUPAC2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H16FN3O2S/c19-14-5-3-13(4-6-14)12-17(23)20-9-10-22-18(24)8-7-15(21-22)16-2-1-11-25-16/h1-8,11H,9-10,12H2,(H,20,23)
InChIKeyFKBNEVMOUCWESR-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.47
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide

2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide (PubChem CID 16675147) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
PubChem CID16675147
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H16FN3O2S/c19-14-5-3-13(4-6-14)12-17(23)20-9-10-22-18(24)8-7-15(21-22)16-2-1-11-25-16/h1-8,11H,9-10,12H2,(H,20,23)
InChIKeyFKBNEVMOUCWESR-UHFFFAOYSA-N
XLogP2.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide (CID 16675147) is 2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide is O=C(Cc1ccc(F)cc1)NCCn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
The InChIKey is FKBNEVMOUCWESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c19-14-5-3-13(4-6-14)12-17(23)20-9-10-22-18(24)8-7-15(21-22)16-2-1-11-25-16/h1-8,11H,9-10,12H2,(H,20,23).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 16675147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).