N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide

C21H25FN2O3 — CID 18126896

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 18126896) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

• Compound Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
• PubChem CID: 18126896
• Molecular Formula: C21H25FN2O3
• Molecular Weight: 372.44 g/mol
• Exact Mass: 372.18
• IUPAC Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
• SMILES: CCOc1cc2c(cc1NC(=O)CN(C)Cc1ccccc1F)OC(C)C2
• InChI: InChI=1S/C21H25FN2O3/c1-4-26-20-10-16-9-14(2)27-19(16)11-18(20)23-21(25)13-24(3)12-15-7-5-6-8-17(15)22/h5-8,10-11,14H,4,9,12-13H2,1-3H3,(H,23,25)
• InChIKey: YPULSQBCHAIHHH-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.44
LogP ≤ 5	3.62
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)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?

The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide (CID 18126896) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide.

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

The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide is CCOc1cc2c(cc1NC(=O)CN(C)Cc1ccccc1F)OC(C)C2.

What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?

The InChIKey is YPULSQBCHAIHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-4-26-20-10-16-9-14(2)27-19(16)11-18(20)23-21(25)13-24(3)12-15-7-5-6-8-17(15)22/h5-8,10-11,14H,4,9,12-13H2,1-3H3,(H,23,25).

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

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 372.44 g/mol, XLogP of 3.62, 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)-2-[(2-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 18126896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).