N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide

C19H21Cl2N2O3+ — CID 8760687

About N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide

N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide (PubChem CID 8760687) has the molecular formula C19H21Cl2N2O3+ and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide.

Molecular Properties

• Compound Name: N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
• PubChem CID: 8760687
• Molecular Formula: C19H21Cl2N2O3+
• Molecular Weight: 396.29 g/mol
• Exact Mass: 395.09
• IUPAC Name: N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
• SMILES: COc1cc2c(cc1OC)C[NH+](CC(=O)Nc1cccc(Cl)c1Cl)CC2
• InChI: InChI=1S/C19H20Cl2N2O3/c1-25-16-8-12-6-7-23(10-13(12)9-17(16)26-2)11-18(24)22-15-5-3-4-14(20)19(15)21/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,22,24)/p+1
• InChIKey: PURYVWZRYRYZOH-UHFFFAOYSA-O
• XLogP: 2.59
• TPSA: 52.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.29
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide?

The IUPAC name of N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide (CID 8760687) is N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide.

What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide?

The canonical SMILES for N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide is COc1cc2c(cc1OC)C[NH+](CC(=O)Nc1cccc(Cl)c1Cl)CC2.

What is the InChIKey of N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide?

The InChIKey is PURYVWZRYRYZOH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-25-16-8-12-6-7-23(10-13(12)9-17(16)26-2)11-18(24)22-15-5-3-4-14(20)19(15)21/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,22,24)/p+1.

What are the key properties of N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide?

N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide has a molecular weight of 396.29 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dichlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide is sourced from PubChem (CID 8760687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).