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

C21H20FN3O2 — CID 18569696

IUPACN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)c1
InChIInChI=1S/C21H20FN3O2/c1-15-3-2-4-16(13-15)14-20(26)23-11-12-25-21(27)10-9-19(24-25)17-5-7-18(22)8-6-17/h2-10,13H,11-12,14H2,1H3,(H,23,26)
InChIKeyKWEJSAFGUHQXHV-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.72
Rot. Bonds6

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

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 18569696) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide
PubChem CID18569696
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)c1
InChIInChI=1S/C21H20FN3O2/c1-15-3-2-4-16(13-15)14-20(26)23-11-12-25-21(27)10-9-19(24-25)17-5-7-18(22)8-6-17/h2-10,13H,11-12,14H2,1H3,(H,23,26)
InChIKeyKWEJSAFGUHQXHV-UHFFFAOYSA-N
XLogP2.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 16905716
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569662
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121050978
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
CID 16884953
2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121033501
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 121033510
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 121033466
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051603
1-benzyl-3-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]ethyl]urea
CID 42109840
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7664506
N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885718
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide (CID 18569696) is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)c1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is KWEJSAFGUHQXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-15-3-2-4-16(13-15)14-20(26)23-11-12-25-21(27)10-9-19(24-25)17-5-7-18(22)8-6-17/h2-10,13H,11-12,14H2,1H3,(H,23,26).
What are the key properties of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide?
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 365.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 18569696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).