N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide

C25H24FNO4 — CID 166328037

About N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide

N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide (PubChem CID 166328037) has the molecular formula C25H24FNO4 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide.

Molecular Properties

• Compound Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide
• PubChem CID: 166328037
• Molecular Formula: C25H24FNO4
• Molecular Weight: 421.47 g/mol
• Exact Mass: 421.17
• IUPAC Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide
• SMILES: CCOc1cc2c(cc1CNC(=O)c1ccc(Oc3cccc(F)c3)cc1)OC(C)C2
• InChI: InChI=1S/C25H24FNO4/c1-3-29-23-12-18-11-16(2)30-24(18)13-19(23)15-27-25(28)17-7-9-21(10-8-17)31-22-6-4-5-20(26)14-22/h4-10,12-14,16H,3,11,15H2,1-2H3,(H,27,28)
• InChIKey: NSPMUQLJIJOJSR-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.47
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide?

The IUPAC name of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide (CID 166328037) is N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide.

What is the SMILES notation for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide?

The canonical SMILES for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide is CCOc1cc2c(cc1CNC(=O)c1ccc(Oc3cccc(F)c3)cc1)OC(C)C2.

What is the InChIKey of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide?

The InChIKey is NSPMUQLJIJOJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO4/c1-3-29-23-12-18-11-16(2)30-24(18)13-19(23)15-27-25(28)17-7-9-21(10-8-17)31-22-6-4-5-20(26)14-22/h4-10,12-14,16H,3,11,15H2,1-2H3,(H,27,28).

What are the key properties of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide?

N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide has a molecular weight of 421.47 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide is sourced from PubChem (CID 166328037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).