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

C20H18FN3O3 — CID 7662136

IUPAC2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H18FN3O3/c1-2-27-17-9-3-14(4-10-17)18-11-12-20(26)24(23-18)13-19(25)22-16-7-5-15(21)6-8-16/h3-12H,2,13H2,1H3,(H,22,25)
InChIKeyGJDAVSYHHDRNPR-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.09
Rot. Bonds6

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

2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 7662136) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID7662136
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H18FN3O3/c1-2-27-17-9-3-14(4-10-17)18-11-12-20(26)24(23-18)13-19(25)22-16-7-5-15(21)6-8-16/h3-12H,2,13H2,1H3,(H,22,25)
InChIKeyGJDAVSYHHDRNPR-UHFFFAOYSA-N
XLogP3.09
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7662101
ethyl 4-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7662139
ethyl 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7664475
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51044126
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051541
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050559
N-(4-ethoxyphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9040319
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
CID 121050569
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8698992
N-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858983

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 7662136) is 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide is CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is GJDAVSYHHDRNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-2-27-17-9-3-14(4-10-17)18-11-12-20(26)24(23-18)13-19(25)22-16-7-5-15(21)6-8-16/h3-12H,2,13H2,1H3,(H,22,25).
What are the key properties of 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 367.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7662136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).