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

C28H32Cl2N2O — CID 58967867

IUPAC1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccc(Cl)cc2)C3)c2c(Cl)cccc12
InChIInChI=1S/C28H32Cl2N2O/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/h2,4-5,8-11,18,21,23-24H,3,6-7,12-17H2,1H3
InChIKeyKPOPPUQPCMAMSB-UHFFFAOYSA-N
MW483.48 g/mol
LogP7.42
Rot. Bonds8

About 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-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone (PubChem CID 58967867) has the molecular formula C28H32Cl2N2O and a molecular weight of 483.48 g/mol. Its IUPAC name is 1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone
PubChem CID58967867
Molecular FormulaC28H32Cl2N2O
Molecular Weight483.48 g/mol
Exact Mass482.19
IUPAC Name1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccc(Cl)cc2)C3)c2c(Cl)cccc12
InChIInChI=1S/C28H32Cl2N2O/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/h2,4-5,8-11,18,21,23-24H,3,6-7,12-17H2,1H3
InChIKeyKPOPPUQPCMAMSB-UHFFFAOYSA-N
XLogP7.42
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.48
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone?
The IUPAC name of 1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone (CID 58967867) is 1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccc(Cl)cc2)C3)c2c(Cl)cccc12.
What is the InChIKey of 1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone?
The InChIKey is KPOPPUQPCMAMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N2O/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/h2,4-5,8-11,18,21,23-24H,3,6-7,12-17H2,1H3.
What are the key properties of 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-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone has a molecular weight of 483.48 g/mol, XLogP of 7.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 58967867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).