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

C15H16FN3O3 — CID 3224523

IUPAC2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1nc(-c2ccccc2F)ccc1=O
InChIInChI=1S/C15H16FN3O3/c1-22-9-8-17-14(20)10-19-15(21)7-6-13(18-19)11-4-2-3-5-12(11)16/h2-7H,8-10H2,1H3,(H,17,20)
InChIKeySLCSELMJIANJMZ-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.81
Rot. Bonds6

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

2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 3224523) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID3224523
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1nc(-c2ccccc2F)ccc1=O
InChIInChI=1S/C15H16FN3O3/c1-22-9-8-17-14(20)10-19-15(21)7-6-13(18-19)11-4-2-3-5-12(11)16/h2-7H,8-10H2,1H3,(H,17,20)
InChIKeySLCSELMJIANJMZ-UHFFFAOYSA-N
XLogP0.81
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 3224523) is 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1nc(-c2ccccc2F)ccc1=O.
What is the InChIKey of 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is SLCSELMJIANJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-22-9-8-17-14(20)10-19-15(21)7-6-13(18-19)11-4-2-3-5-12(11)16/h2-7H,8-10H2,1H3,(H,17,20).
What are the key properties of 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 305.31 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3224523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).