N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride

C14H19ClN2O — CID 19766290

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
SMILESCl.O=C(NC1CN2CCC1CC2)c1ccccc1
InChIInChI=1S/C14H18N2O.ClH/c17-14(12-4-2-1-3-5-12)15-13-10-16-8-6-11(13)7-9-16;/h1-5,11,13H,6-10H2,(H,15,17);1H
InChIKeyCQOFTLXDWZINDT-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.93
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride

N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride (PubChem CID 19766290) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
PubChem CID19766290
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
SMILESCl.O=C(NC1CN2CCC1CC2)c1ccccc1
InChIInChI=1S/C14H18N2O.ClH/c17-14(12-4-2-1-3-5-12)15-13-10-16-8-6-11(13)7-9-16;/h1-5,11,13H,6-10H2,(H,15,17);1H
InChIKeyCQOFTLXDWZINDT-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide
CID 12985341
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide
CID 91404239
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 18775468
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-cyanobenzamide
CID 24707260
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-nitrobenzamide
CID 11471353
3-(aminomethyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18069977
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43156107
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-chlorophenyl)sulfanylbenzamide
CID 18383684
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide
CID 55052611

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride (CID 19766290) is N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride is Cl.O=C(NC1CN2CCC1CC2)c1ccccc1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride?
The InChIKey is CQOFTLXDWZINDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c17-14(12-4-2-1-3-5-12)15-13-10-16-8-6-11(13)7-9-16;/h1-5,11,13H,6-10H2,(H,15,17);1H.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride?
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 19766290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).