N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride

C14H17BrCl2N2O — CID 119459232

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H16BrClN2O.ClH/c15-8-1-4-12(13(16)5-8)14(19)18-11-6-9-2-3-10(7-11)17-9;/h1,4-5,9-11,17H,2-3,6-7H2,(H,18,19);1H
InChIKeyPINHXUZQLJHULR-UHFFFAOYSA-N
MW380.11 g/mol
LogP3.54
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride (PubChem CID 119459232) has the molecular formula C14H17BrCl2N2O and a molecular weight of 380.11 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride
PubChem CID119459232
Molecular FormulaC14H17BrCl2N2O
Molecular Weight380.11 g/mol
Exact Mass377.99
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H16BrClN2O.ClH/c15-8-1-4-12(13(16)5-8)14(19)18-11-6-9-2-3-10(7-11)17-9;/h1,4-5,9-11,17H,2-3,6-7H2,(H,18,19);1H
InChIKeyPINHXUZQLJHULR-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.11
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-[(4-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675321
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide
CID 103805907
4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide
CID 112752852
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide
CID 61237544
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119459355
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide
CID 119457942
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride
CID 119458232
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119456066
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119457050

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride (CID 119459232) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)c1ccc(Br)cc1Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride?
The InChIKey is PINHXUZQLJHULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O.ClH/c15-8-1-4-12(13(16)5-8)14(19)18-11-6-9-2-3-10(7-11)17-9;/h1,4-5,9-11,17H,2-3,6-7H2,(H,18,19);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride has a molecular weight of 380.11 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 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)-4-bromo-2-chlorobenzamide;hydrochloride is sourced from PubChem (CID 119459232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).