N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride

C15H21ClN2O — CID 71758248

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccccc1)C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-17(15(18)11-5-3-2-4-6-11)14-9-12-7-8-13(10-14)16-12;/h2-6,12-14,16H,7-10H2,1H3;1H
InChIKeyRLGJRBICBSKFPS-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.46
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride (PubChem CID 71758248) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
PubChem CID71758248
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccccc1)C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-17(15(18)11-5-3-2-4-6-11)14-9-12-7-8-13(10-14)16-12;/h2-6,12-14,16H,7-10H2,1H3;1H
InChIKeyRLGJRBICBSKFPS-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide
CID 61232970
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide
CID 61230667
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 61232203
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide
CID 115760408
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1-benzofuran-3-carboxamide;hydrochloride
CID 86813060
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-bromo-4-fluoro-N-methylbenzamide
CID 100657836
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82879416
N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
CID 99850405
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-6-fluoro-N-methylbenzamide
CID 114560175
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide
CID 107519919
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-bromo-N-methylthiophene-2-carboxamide
CID 98490112

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride (CID 71758248) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride is CN(C(=O)c1ccccc1)C1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride?
The InChIKey is RLGJRBICBSKFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c1-17(15(18)11-5-3-2-4-6-11)14-9-12-7-8-13(10-14)16-12;/h2-6,12-14,16H,7-10H2,1H3;1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 71758248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).