(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide

C26H25Cl2N3O — CID 93140233

About (3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide

(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 93140233) has the molecular formula C26H25Cl2N3O and a molecular weight of 466.41 g/mol. Its IUPAC name is (3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

• Compound Name: (3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
• PubChem CID: 93140233
• Molecular Formula: C26H25Cl2N3O
• Molecular Weight: 466.41 g/mol
• Exact Mass: 465.14
• IUPAC Name: (3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
• SMILES: CCc1cccc2c([C@H](CC(=O)NCCc3ccccn3)c3ccc(Cl)c(Cl)c3)c[nH]c12
• InChI: InChI=1S/C26H25Cl2N3O/c1-2-17-6-5-8-20-22(16-31-26(17)20)21(18-9-10-23(27)24(28)14-18)15-25(32)30-13-11-19-7-3-4-12-29-19/h3-10,12,14,16,21,31H,2,11,13,15H2,1H3,(H,30,32)/t21-/m1/s1
• InChIKey: SKRVRPFAULNWQE-OAQYLSRUSA-N
• XLogP: 6.31
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.41
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?

The IUPAC name of (3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide (CID 93140233) is (3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide.

What is the SMILES notation for (3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?

The canonical SMILES for (3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide is CCc1cccc2c([C@H](CC(=O)NCCc3ccccn3)c3ccc(Cl)c(Cl)c3)c[nH]c12.

What is the InChIKey of (3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?

The InChIKey is SKRVRPFAULNWQE-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H25Cl2N3O/c1-2-17-6-5-8-20-22(16-31-26(17)20)21(18-9-10-23(27)24(28)14-18)15-25(32)30-13-11-19-7-3-4-12-29-19/h3-10,12,14,16,21,31H,2,11,13,15H2,1H3,(H,30,32)/t21-/m1/s1.

What are the key properties of (3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?

(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 466.41 g/mol, XLogP of 6.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 93140233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).