3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide

C24H20Cl3N3O — CID 83289144

About 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide

3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 83289144) has the molecular formula C24H20Cl3N3O and a molecular weight of 472.80 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

• Compound Name: 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
• PubChem CID: 83289144
• Molecular Formula: C24H20Cl3N3O
• Molecular Weight: 472.80 g/mol
• Exact Mass: 471.07
• IUPAC Name: 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
• SMILES: O=C(CC(c1ccc(Cl)c(Cl)c1)c1c[nH]c2ccc(Cl)cc12)NCCc1ccccn1
• InChI: InChI=1S/C24H20Cl3N3O/c25-16-5-7-23-19(12-16)20(14-30-23)18(15-4-6-21(26)22(27)11-15)13-24(31)29-10-8-17-3-1-2-9-28-17/h1-7,9,11-12,14,18,30H,8,10,13H2,(H,29,31)
• InChIKey: AIPJXEHUXOBZLU-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.80
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?

The IUPAC name of 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide (CID 83289144) is 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide.

What is the SMILES notation for 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?

The canonical SMILES for 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide is O=C(CC(c1ccc(Cl)c(Cl)c1)c1c[nH]c2ccc(Cl)cc12)NCCc1ccccn1.

What is the InChIKey of 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?

The InChIKey is AIPJXEHUXOBZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3N3O/c25-16-5-7-23-19(12-16)20(14-30-23)18(15-4-6-21(26)22(27)11-15)13-24(31)29-10-8-17-3-1-2-9-28-17/h1-7,9,11-12,14,18,30H,8,10,13H2,(H,29,31).

What are the key properties of 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?

3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 472.80 g/mol, XLogP of 6.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 83289144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).