2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C22H19ClFN3O3 — CID 45176718

About 2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 45176718) has the molecular formula C22H19ClFN3O3 and a molecular weight of 427.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
• PubChem CID: 45176718
• Molecular Formula: C22H19ClFN3O3
• Molecular Weight: 427.86 g/mol
• Exact Mass: 427.11
• IUPAC Name: 2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
• SMILES: COc1ccc(-c2cc(F)cc3c2OC(CNC(=O)Cc2cccc(Cl)c2)C3)nn1
• InChI: InChI=1S/C22H19ClFN3O3/c1-29-21-6-5-19(26-27-21)18-11-16(24)9-14-10-17(30-22(14)18)12-25-20(28)8-13-3-2-4-15(23)7-13/h2-7,9,11,17H,8,10,12H2,1H3,(H,25,28)
• InChIKey: QGLXGKZUQSMHOJ-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.86
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?

The IUPAC name of 2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 45176718) is 2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

What is the SMILES notation for 2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?

The canonical SMILES for 2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is COc1ccc(-c2cc(F)cc3c2OC(CNC(=O)Cc2cccc(Cl)c2)C3)nn1.

What is the InChIKey of 2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?

The InChIKey is QGLXGKZUQSMHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O3/c1-29-21-6-5-19(26-27-21)18-11-16(24)9-14-10-17(30-22(14)18)12-25-20(28)8-13-3-2-4-15(23)7-13/h2-7,9,11,17H,8,10,12H2,1H3,(H,25,28).

What are the key properties of 2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?

2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 427.86 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 45176718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).