1-[7-chloro-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]propyl]indol-3-yl]ethanone

C104H114Cl8N8O6 — CID 158471950

About 1-[7-chloro-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]propyl]indol-3-yl]ethanone

1-[7-chloro-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 158471950) has the molecular formula C104H114Cl8N8O6 and a molecular weight of 1855.73 g/mol. Its IUPAC name is 1-[7-chloro-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-chloro-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]propyl]indol-3-yl]ethanone
• PubChem CID: 158471950
• Molecular Formula: C104H114Cl8N8O6
• Molecular Weight: 1855.73 g/mol
• Exact Mass: 1850.64
• IUPAC Name: 1-[7-chloro-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]propyl]indol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccc(Cl)cc2)C3)c2c(Cl)cccc12.CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2c(Cl)cccc12.CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccccc2Cl)C3)c2c(Cl)cccc12.CC(=O)c1cn(CCCN2CCC(Cc3ccccc3Cl)C2)c2c(Cl)cccc12
• InChI: InChI=1S/C28H32Cl2N2O.2C26H28Cl2N2O2.C24H26Cl2N2O/c1-19(33)26-18-31(28-25(26)4-2-5-27(28)30)14-3-15-32-23-12-13-24(32)17-21(16-23)7-6-20-8-10-22(29)11-9-20;1-17(31)24-16-29(26-23(24)4-2-5-25(26)28)12-3-13-30-19-8-9-20(30)15-22(14-19)32-21-10-6-18(27)7-11-21;1-17(31)22-16-29(26-21(22)6-4-8-24(26)28)12-5-13-30-18-10-11-19(30)15-20(14-18)32-25-9-3-2-7-23(25)27;1-17(29)21-16-28(24-20(21)7-4-9-23(24)26)12-5-11-27-13-10-18(15-27)14-19-6-2-3-8-22(19)25/h2,4-5,8-11,18,21,23-24H,3,6-7,12-17H2,1H3;2,4-7,10-11,16,19-20,22H,3,8-9,12-15H2,1H3;2-4,6-9,16,18-20H,5,10-15H2,1H3;2-4,6-9,16,18H,5,10-15H2,1H3
• InChIKey: HGLLYAOYWIVHGR-UHFFFAOYSA-N
• XLogP: 26.75
• TPSA: 119.42 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 29
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1855.73
LogP ≤ 5	26.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-[7-chloro-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]propyl]indol-3-yl]ethanone?

The IUPAC name of 1-[7-chloro-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]propyl]indol-3-yl]ethanone (CID 158471950) is 1-[7-chloro-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]propyl]indol-3-yl]ethanone.

What is the SMILES notation for 1-[7-chloro-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]propyl]indol-3-yl]ethanone?

The canonical SMILES for 1-[7-chloro-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccc(Cl)cc2)C3)c2c(Cl)cccc12.CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2c(Cl)cccc12.CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccccc2Cl)C3)c2c(Cl)cccc12.CC(=O)c1cn(CCCN2CCC(Cc3ccccc3Cl)C2)c2c(Cl)cccc12.

What is the InChIKey of 1-[7-chloro-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]propyl]indol-3-yl]ethanone?

The InChIKey is HGLLYAOYWIVHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N2O.2C26H28Cl2N2O2.C24H26Cl2N2O/c1-19(33)26-18-31(28-25(26)4-2-5-27(28)30)14-3-15-32-23-12-13-24(32)17-21(16-23)7-6-20-8-10-22(29)11-9-20;1-17(31)24-16-29(26-23(24)4-2-5-25(26)28)12-3-13-30-19-8-9-20(30)15-22(14-19)32-21-10-6-18(27)7-11-21;1-17(31)22-16-29(26-21(22)6-4-8-24(26)28)12-5-13-30-18-10-11-19(30)15-20(14-18)32-25-9-3-2-7-23(25)27;1-17(29)21-16-28(24-20(21)7-4-9-23(24)26)12-5-11-27-13-10-18(15-27)14-19-6-2-3-8-22(19)25/h2,4-5,8-11,18,21,23-24H,3,6-7,12-17H2,1H3;2,4-7,10-11,16,19-20,22H,3,8-9,12-15H2,1H3;2-4,6-9,16,18-20H,5,10-15H2,1H3;2-4,6-9,16,18H,5,10-15H2,1H3.

What are the key properties of 1-[7-chloro-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]propyl]indol-3-yl]ethanone?

1-[7-chloro-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]propyl]indol-3-yl]ethanone has a molecular weight of 1855.73 g/mol, XLogP of 26.75, 29 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-chloro-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 158471950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).