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

C18H16FN3O3 — CID 121049819

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3/c19-14-5-3-13(4-6-14)9-10-20-17(23)12-22-18(24)8-7-15(21-22)16-2-1-11-25-16/h1-8,11H,9-10,12H2,(H,20,23)
InChIKeyOASUMGLYXIMBEZ-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.00
Rot. Bonds6

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

N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121049819) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121049819
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3/c19-14-5-3-13(4-6-14)9-10-20-17(23)12-22-18(24)8-7-15(21-22)16-2-1-11-25-16/h1-8,11H,9-10,12H2,(H,20,23)
InChIKeyOASUMGLYXIMBEZ-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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Related Compounds

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051603
N-[2-(4-fluorophenyl)ethyl]-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090714
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7664506
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 53368196
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenylbutanamide
CID 16905505
(E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide
CID 121034389
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121049777
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121050978
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121123709
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 56761226
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide
CID 52897576
3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905482

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 121049819) is N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccco2)ccc1=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is OASUMGLYXIMBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-14-5-3-13(4-6-14)9-10-20-17(23)12-22-18(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 N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]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 N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121049819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).