3-(difluoromethoxy)-N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]benzamide

C22H24F2N2O5 — CID 24550214

About 3-(difluoromethoxy)-N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]benzamide

3-(difluoromethoxy)-N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 24550214) has the molecular formula C22H24F2N2O5 and a molecular weight of 434.44 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3-(difluoromethoxy)-N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]benzamide
• PubChem CID: 24550214
• Molecular Formula: C22H24F2N2O5
• Molecular Weight: 434.44 g/mol
• Exact Mass: 434.17
• IUPAC Name: 3-(difluoromethoxy)-N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]benzamide
• SMILES: CCOc1cc2c(cc1CNC(=O)CNC(=O)c1cccc(OC(F)F)c1)OC(C)C2
• InChI: InChI=1S/C22H24F2N2O5/c1-3-29-18-9-15-7-13(2)30-19(15)10-16(18)11-25-20(27)12-26-21(28)14-5-4-6-17(8-14)31-22(23)24/h4-6,8-10,13,22H,3,7,11-12H2,1-2H3,(H,25,27)(H,26,28)
• InChIKey: FYBBNWXARQRTDM-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.44
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(difluoromethoxy)-N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]benzamide (CID 24550214) is 3-(difluoromethoxy)-N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]benzamide.

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

The canonical SMILES for 3-(difluoromethoxy)-N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]benzamide is CCOc1cc2c(cc1CNC(=O)CNC(=O)c1cccc(OC(F)F)c1)OC(C)C2.

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

The InChIKey is FYBBNWXARQRTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O5/c1-3-29-18-9-15-7-13(2)30-19(15)10-16(18)11-25-20(27)12-26-21(28)14-5-4-6-17(8-14)31-22(23)24/h4-6,8-10,13,22H,3,7,11-12H2,1-2H3,(H,25,27)(H,26,28).

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

3-(difluoromethoxy)-N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 434.44 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethoxy)-N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24550214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).