N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide

C21H23ClN2O — CID 24747071

IUPACN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H23ClN2O/c22-20-9-5-4-8-19(20)21(25)23-16-12-17-10-11-18(13-16)24(17)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H,23,25)
InChIKeyDDNZZZOPARXLEL-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.27
Rot. Bonds4

About N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide (PubChem CID 24747071) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide
PubChem CID24747071
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H23ClN2O/c22-20-9-5-4-8-19(20)21(25)23-16-12-17-10-11-18(13-16)24(17)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H,23,25)
InChIKeyDDNZZZOPARXLEL-UHFFFAOYSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide 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-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide?
The IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide (CID 24747071) is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide.
What is the SMILES notation for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide?
The canonical SMILES for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide is O=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide?
The InChIKey is DDNZZZOPARXLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c22-20-9-5-4-8-19(20)21(25)23-16-12-17-10-11-18(13-16)24(17)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H,23,25).
What are the key properties of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide?
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide has a molecular weight of 354.88 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-chlorobenzamide is sourced from PubChem (CID 24747071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).