2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide

C20H21Cl2NO4 — CID 43078029

About 2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide

2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide (PubChem CID 43078029) has the molecular formula C20H21Cl2NO4 and a molecular weight of 410.30 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide.

Molecular Properties

• Compound Name: 2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide
• PubChem CID: 43078029
• Molecular Formula: C20H21Cl2NO4
• Molecular Weight: 410.30 g/mol
• Exact Mass: 409.08
• IUPAC Name: 2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide
• SMILES: CCOc1cc2c(cc1NC(=O)C(C)Oc1cccc(Cl)c1Cl)OC(C)C2
• InChI: InChI=1S/C20H21Cl2NO4/c1-4-25-18-9-13-8-11(2)26-17(13)10-15(18)23-20(24)12(3)27-16-7-5-6-14(21)19(16)22/h5-7,9-12H,4,8H2,1-3H3,(H,23,24)
• InChIKey: RRANOZJUFMQRMU-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.30
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide?

The IUPAC name of 2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide (CID 43078029) is 2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide.

What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide?

The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide is CCOc1cc2c(cc1NC(=O)C(C)Oc1cccc(Cl)c1Cl)OC(C)C2.

What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide?

The InChIKey is RRANOZJUFMQRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO4/c1-4-25-18-9-13-8-11(2)26-17(13)10-15(18)23-20(24)12(3)27-16-7-5-6-14(21)19(16)22/h5-7,9-12H,4,8H2,1-3H3,(H,23,24).

What are the key properties of 2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide?

2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide has a molecular weight of 410.30 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide is sourced from PubChem (CID 43078029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).