2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride

C24H27Cl2N3O — CID 70105789

IUPAC2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride
SMILESCN1C2CCC1CC(NC(=O)c1c(-c3ccc(Cl)cc3)n(C)c3ccccc13)C2.Cl
InChIInChI=1S/C24H26ClN3O.ClH/c1-27-18-11-12-19(27)14-17(13-18)26-24(29)22-20-5-3-4-6-21(20)28(2)23(22)15-7-9-16(25)10-8-15;/h3-10,17-19H,11-14H2,1-2H3,(H,26,29);1H
InChIKeyXRZOQEJDFBXABU-UHFFFAOYSA-N
MW444.41 g/mol
LogP5.28
Rot. Bonds3

About 2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride

2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride (PubChem CID 70105789) has the molecular formula C24H27Cl2N3O and a molecular weight of 444.41 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride
PubChem CID70105789
Molecular FormulaC24H27Cl2N3O
Molecular Weight444.41 g/mol
Exact Mass443.15
IUPAC Name2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride
SMILESCN1C2CCC1CC(NC(=O)c1c(-c3ccc(Cl)cc3)n(C)c3ccccc13)C2.Cl
InChIInChI=1S/C24H26ClN3O.ClH/c1-27-18-11-12-19(27)14-17(13-18)26-24(29)22-20-5-3-4-6-21(20)28(2)23(22)15-7-9-16(25)10-8-15;/h3-10,17-19H,11-14H2,1-2H3,(H,26,29);1H
InChIKeyXRZOQEJDFBXABU-UHFFFAOYSA-N
XLogP5.28
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride (CID 70105789) is 2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride is CN1C2CCC1CC(NC(=O)c1c(-c3ccc(Cl)cc3)n(C)c3ccccc13)C2.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride?
The InChIKey is XRZOQEJDFBXABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O.ClH/c1-27-18-11-12-19(27)14-17(13-18)26-24(29)22-20-5-3-4-6-21(20)28(2)23(22)15-7-9-16(25)10-8-15;/h3-10,17-19H,11-14H2,1-2H3,(H,26,29);1H.
What are the key properties of 2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride?
2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride has a molecular weight of 444.41 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 70105789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).