2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride

C14H19ClN2O — CID 68749211

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
SMILESCl.NC(=O)c1ccccc1C1CC2CCC(C1)N2
InChIInChI=1S/C14H18N2O.ClH/c15-14(17)13-4-2-1-3-12(13)9-7-10-5-6-11(8-9)16-10;/h1-4,9-11,16H,5-8H2,(H2,15,17);1H
InChIKeyZBCPBIUURKDABL-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.21
Rot. Bonds2

About 2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride (PubChem CID 68749211) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
PubChem CID68749211
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
SMILESCl.NC(=O)c1ccccc1C1CC2CCC(C1)N2
InChIInChI=1S/C14H18N2O.ClH/c15-14(17)13-4-2-1-3-12(13)9-7-10-5-6-11(8-9)16-10;/h1-4,9-11,16H,5-8H2,(H2,15,17);1H
InChIKeyZBCPBIUURKDABL-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride (CID 68749211) is 2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride is Cl.NC(=O)c1ccccc1C1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?
The InChIKey is ZBCPBIUURKDABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c15-14(17)13-4-2-1-3-12(13)9-7-10-5-6-11(8-9)16-10;/h1-4,9-11,16H,5-8H2,(H2,15,17);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 68749211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).