2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide

C20H18FN3O3 — CID 46381550

IUPAC2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(-n2nc(OCC(=O)Nc3ccc(F)cc3)ccc2=O)cc1C
InChIInChI=1S/C20H18FN3O3/c1-13-3-8-17(11-14(13)2)24-20(26)10-9-19(23-24)27-12-18(25)22-16-6-4-15(21)5-7-16/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyLREAMQQSULFKII-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.01
Rot. Bonds5

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

2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide (PubChem CID 46381550) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide
PubChem CID46381550
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(-n2nc(OCC(=O)Nc3ccc(F)cc3)ccc2=O)cc1C
InChIInChI=1S/C20H18FN3O3/c1-13-3-8-17(11-14(13)2)24-20(26)10-9-19(23-24)27-12-18(25)22-16-6-4-15(21)5-7-16/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyLREAMQQSULFKII-UHFFFAOYSA-N
XLogP3.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide
CID 46381586
N-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide
CID 46381563
N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide
CID 46381542
ethyl 4-[[(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92881002
2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-fluorophenyl)acetamide
CID 50799170
ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate
CID 18579919
N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791122
2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide
CID 16846814
[2-(3,4-dimethylanilino)-2-oxoethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 7691024
(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880949
(2R)-N-(4-bromo-3-methylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880903
N-(4-acetamidophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381454

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide (CID 46381550) is 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide is Cc1ccc(-n2nc(OCC(=O)Nc3ccc(F)cc3)ccc2=O)cc1C.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide?
The InChIKey is LREAMQQSULFKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-13-3-8-17(11-14(13)2)24-20(26)10-9-19(23-24)27-12-18(25)22-16-6-4-15(21)5-7-16/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide?
2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide has a molecular weight of 367.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 46381550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).