2-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide

C18H16FN3O3 — CID 16674817

IUPAC2-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C18H16FN3O3/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)
InChIKeyMXWFRDGBIYIUHN-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.00
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide

2-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide (PubChem CID 16674817) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
PubChem CID16674817
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C18H16FN3O3/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)
InChIKeyMXWFRDGBIYIUHN-UHFFFAOYSA-N
XLogP2.00
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.00
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-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide (CID 16674817) is 2-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide is O=C(Cc1ccc(F)cc1)NCCn1nc(-c2ccco2)ccc1=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide?
The InChIKey is MXWFRDGBIYIUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/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-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.00, 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-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 16674817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).