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

C21H24Cl2N2O2 — CID 119458592

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C21H23ClN2O2.ClH/c22-19-7-3-1-5-14(19)13-26-20-8-4-2-6-18(20)21(25)24-17-11-15-9-10-16(12-17)23-15;/h1-8,15-17,23H,9-13H2,(H,24,25);1H
InChIKeyUHPUMLROIMBYSU-UHFFFAOYSA-N
MW407.34 g/mol
LogP4.35
Rot. Bonds5

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride (PubChem CID 119458592) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride
PubChem CID119458592
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C21H23ClN2O2.ClH/c22-19-7-3-1-5-14(19)13-26-20-8-4-2-6-18(20)21(25)24-17-11-15-9-10-16(12-17)23-15;/h1-8,15-17,23H,9-13H2,(H,24,25);1H
InChIKeyUHPUMLROIMBYSU-UHFFFAOYSA-N
XLogP4.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428088
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119459167
[2-[(2-chlorophenyl)methoxy]phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638428
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride
CID 119455037
2-[(2-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 26901785
2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453556
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide
CID 119457942
N-(4-aminocyclohexyl)-2-[(2-methylphenyl)methoxy]benzamide;hydrochloride
CID 119478339
2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide
CID 56558388
2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
CID 26886312
2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide
CID 119388320
2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393698

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride (CID 119458592) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride?
The InChIKey is UHPUMLROIMBYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2.ClH/c22-19-7-3-1-5-14(19)13-26-20-8-4-2-6-18(20)21(25)24-17-11-15-9-10-16(12-17)23-15;/h1-8,15-17,23H,9-13H2,(H,24,25);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride has a molecular weight of 407.34 g/mol, XLogP of 4.35, 5 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)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride is sourced from PubChem (CID 119458592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).