4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide

C24H26ClN3O — CID 70107982

IUPAC4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1c(-c3ccccc3)n(C)c3cccc(Cl)c13)C2
InChIInChI=1S/C24H26ClN3O/c1-27-17-11-12-18(27)14-16(13-17)26-24(29)22-21-19(25)9-6-10-20(21)28(2)23(22)15-7-4-3-5-8-15/h3-10,16-18H,11-14H2,1-2H3,(H,26,29)
InChIKeyJDUHKSSLYFZCPQ-UHFFFAOYSA-N
MW407.95 g/mol
LogP4.85
Rot. Bonds3

About 4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide

4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide (PubChem CID 70107982) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide
PubChem CID70107982
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC Name4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1c(-c3ccccc3)n(C)c3cccc(Cl)c13)C2
InChIInChI=1S/C24H26ClN3O/c1-27-17-11-12-18(27)14-16(13-17)26-24(29)22-21-19(25)9-6-10-20(21)28(2)23(22)15-7-4-3-5-8-15/h3-10,16-18H,11-14H2,1-2H3,(H,26,29)
InChIKeyJDUHKSSLYFZCPQ-UHFFFAOYSA-N
XLogP4.85
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide with MolForge

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Related Compounds

1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride
CID 70108169
2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride
CID 70105789
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride
CID 70107632
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide
CID 70107495
N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide
CID 70107814
1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride
CID 70106637
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-naphthalen-2-ylindole-3-carboxamide
CID 70108694
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide
CID 70108707
2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide
CID 70105361
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylindole-3-carboxamide;hydrochloride
CID 70108700
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride
CID 70107568

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide (CID 70107982) is 4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide is CN1C2CCC1CC(NC(=O)c1c(-c3ccccc3)n(C)c3cccc(Cl)c13)C2.
What is the InChIKey of 4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide?
The InChIKey is JDUHKSSLYFZCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-27-17-11-12-18(27)14-16(13-17)26-24(29)22-21-19(25)9-6-10-20(21)28(2)23(22)15-7-4-3-5-8-15/h3-10,16-18H,11-14H2,1-2H3,(H,26,29).
What are the key properties of 4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide?
4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide has a molecular weight of 407.95 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide is sourced from PubChem (CID 70107982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).