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

C15H19ClF2N2O2 — CID 119455893

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H18F2N2O2.ClH/c16-15(17)21-13-3-1-2-9(6-13)14(20)19-12-7-10-4-5-11(8-12)18-10;/h1-3,6,10-12,15,18H,4-5,7-8H2,(H,19,20);1H
InChIKeyPAZYWNPWGUMNGZ-UHFFFAOYSA-N
MW332.78 g/mol
LogP2.72
Rot. Bonds4

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride (PubChem CID 119455893) has the molecular formula C15H19ClF2N2O2 and a molecular weight of 332.78 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
PubChem CID119455893
Molecular FormulaC15H19ClF2N2O2
Molecular Weight332.78 g/mol
Exact Mass332.11
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H18F2N2O2.ClH/c16-15(17)21-13-3-1-2-9(6-13)14(20)19-12-7-10-4-5-11(8-12)18-10;/h1-3,6,10-12,15,18H,4-5,7-8H2,(H,19,20);1H
InChIKeyPAZYWNPWGUMNGZ-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
3-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 18109657
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119458703
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
CID 119456444
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119455783
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride
CID 119455135
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 119456975
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119458558
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119458129
3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 51537876
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119457516

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride (CID 119455893) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride?
The InChIKey is PAZYWNPWGUMNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2.ClH/c16-15(17)21-13-3-1-2-9(6-13)14(20)19-12-7-10-4-5-11(8-12)18-10;/h1-3,6,10-12,15,18H,4-5,7-8H2,(H,19,20);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride has a molecular weight of 332.78 g/mol, XLogP of 2.72, 4 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)-3-(difluoromethoxy)benzamide;hydrochloride is sourced from PubChem (CID 119455893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).