2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide

C26H25ClN2O4 — CID 55344788

About 2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide

2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 55344788) has the molecular formula C26H25ClN2O4 and a molecular weight of 464.95 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide
• PubChem CID: 55344788
• Molecular Formula: C26H25ClN2O4
• Molecular Weight: 464.95 g/mol
• Exact Mass: 464.15
• IUPAC Name: 2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide
• SMILES: COc1cccc(C(CNC(=O)COc2cccc(Cl)c2)c2c[nH]c3ccccc23)c1OC
• InChI: InChI=1S/C26H25ClN2O4/c1-31-24-12-6-10-20(26(24)32-2)22(21-14-28-23-11-4-3-9-19(21)23)15-29-25(30)16-33-18-8-5-7-17(27)13-18/h3-14,22,28H,15-16H2,1-2H3,(H,29,30)
• InChIKey: XBDHPAPZMQLLCV-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 72.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.95
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide?

The IUPAC name of 2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide (CID 55344788) is 2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide.

What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide?

The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide is COc1cccc(C(CNC(=O)COc2cccc(Cl)c2)c2c[nH]c3ccccc23)c1OC.

What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide?

The InChIKey is XBDHPAPZMQLLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O4/c1-31-24-12-6-10-20(26(24)32-2)22(21-14-28-23-11-4-3-9-19(21)23)15-29-25(30)16-33-18-8-5-7-17(27)13-18/h3-14,22,28H,15-16H2,1-2H3,(H,29,30).

What are the key properties of 2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide?

2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 464.95 g/mol, XLogP of 5.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 55344788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).