1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone

C33H35ClN2O3 — CID 58968501

IUPAC1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone
SMILESCOc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12
InChIInChI=1S/C33H35ClN2O3/c1-38-32-14-7-11-27-28(30(37)19-23-9-3-2-4-10-23)22-35(33(27)32)17-8-18-36-24-15-16-25(36)21-26(20-24)39-31-13-6-5-12-29(31)34/h2-7,9-14,22,24-26H,8,15-21H2,1H3
InChIKeyGZWRZKARALPSBP-UHFFFAOYSA-N
MW543.11 g/mol
LogP7.19
Rot. Bonds10

About 1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone

1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone (PubChem CID 58968501) has the molecular formula C33H35ClN2O3 and a molecular weight of 543.11 g/mol. Its IUPAC name is 1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone
PubChem CID58968501
Molecular FormulaC33H35ClN2O3
Molecular Weight543.11 g/mol
Exact Mass542.23
IUPAC Name1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone
SMILESCOc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12
InChIInChI=1S/C33H35ClN2O3/c1-38-32-14-7-11-27-28(30(37)19-23-9-3-2-4-10-23)22-35(33(27)32)17-8-18-36-24-15-16-25(36)21-26(20-24)39-31-13-6-5-12-29(31)34/h2-7,9-14,22,24-26H,8,15-21H2,1H3
InChIKeyGZWRZKARALPSBP-UHFFFAOYSA-N
XLogP7.19
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.11
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone 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-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone?
The IUPAC name of 1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone (CID 58968501) is 1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone.
What is the SMILES notation for 1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone?
The canonical SMILES for 1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone is COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12.
What is the InChIKey of 1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone?
The InChIKey is GZWRZKARALPSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35ClN2O3/c1-38-32-14-7-11-27-28(30(37)19-23-9-3-2-4-10-23)22-35(33(27)32)17-8-18-36-24-15-16-25(36)21-26(20-24)39-31-13-6-5-12-29(31)34/h2-7,9-14,22,24-26H,8,15-21H2,1H3.
What are the key properties of 1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone?
1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone has a molecular weight of 543.11 g/mol, XLogP of 7.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone is sourced from PubChem (CID 58968501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).