N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride

C23H25Cl2N3O — CID 70107568

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride
SMILESCl.Cn1c(-c2ccccc2)c(C(=O)NC2CC3CCC(C2)N3)c2cc(Cl)ccc21
InChIInChI=1S/C23H24ClN3O.ClH/c1-27-20-10-7-15(24)11-19(20)21(22(27)14-5-3-2-4-6-14)23(28)26-18-12-16-8-9-17(13-18)25-16;/h2-7,10-11,16-18,25H,8-9,12-13H2,1H3,(H,26,28);1H
InChIKeyPYVDVQVKCMIFHC-UHFFFAOYSA-N
MW430.38 g/mol
LogP4.93
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride (PubChem CID 70107568) has the molecular formula C23H25Cl2N3O and a molecular weight of 430.38 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride
PubChem CID70107568
Molecular FormulaC23H25Cl2N3O
Molecular Weight430.38 g/mol
Exact Mass429.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride
SMILESCl.Cn1c(-c2ccccc2)c(C(=O)NC2CC3CCC(C2)N3)c2cc(Cl)ccc21
InChIInChI=1S/C23H24ClN3O.ClH/c1-27-20-10-7-15(24)11-19(20)21(22(27)14-5-3-2-4-6-14)23(28)26-18-12-16-8-9-17(13-18)25-16;/h2-7,10-11,16-18,25H,8-9,12-13H2,1H3,(H,26,28);1H
InChIKeyPYVDVQVKCMIFHC-UHFFFAOYSA-N
XLogP4.93
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride 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 N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride (CID 70107568) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride is Cl.Cn1c(-c2ccccc2)c(C(=O)NC2CC3CCC(C2)N3)c2cc(Cl)ccc21.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride?
The InChIKey is PYVDVQVKCMIFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O.ClH/c1-27-20-10-7-15(24)11-19(20)21(22(27)14-5-3-2-4-6-14)23(28)26-18-12-16-8-9-17(13-18)25-16;/h2-7,10-11,16-18,25H,8-9,12-13H2,1H3,(H,26,28);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride has a molecular weight of 430.38 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-methyl-2-phenylindole-3-carboxamide;hydrochloride is sourced from PubChem (CID 70107568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).