N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide

C17H19BrN2O2 — CID 91948621

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CN3CCC2CC3)oc2cc(Br)ccc12
InChIInChI=1S/C17H19BrN2O2/c1-10-13-3-2-12(18)8-15(13)22-16(10)17(21)19-14-9-20-6-4-11(14)5-7-20/h2-3,8,11,14H,4-7,9H2,1H3,(H,19,21)
InChIKeyJRBAVXGHKAFABX-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.33
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 91948621) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide
PubChem CID91948621
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CN3CCC2CC3)oc2cc(Br)ccc12
InChIInChI=1S/C17H19BrN2O2/c1-10-13-3-2-12(18)8-15(13)22-16(10)17(21)19-14-9-20-6-4-11(14)5-7-20/h2-3,8,11,14H,4-7,9H2,1H3,(H,19,21)
InChIKeyJRBAVXGHKAFABX-UHFFFAOYSA-N
XLogP3.33
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-bromo-4-methylbenzamide
CID 81472016
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide
CID 66636210
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1-benzofuran-6-carboxamide
CID 22481785
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-1-benzofuran-6-carboxamide
CID 10356529
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826
5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 3947407
N-(4-aminocyclohexyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 119475221
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 23529176
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-4-(methylamino)benzamide
CID 63210546
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
CID 91948603
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-(5-bromo-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride
CID 70073342

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide (CID 91948621) is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CN3CCC2CC3)oc2cc(Br)ccc12.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is JRBAVXGHKAFABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-10-13-3-2-12(18)8-15(13)22-16(10)17(21)19-14-9-20-6-4-11(14)5-7-20/h2-3,8,11,14H,4-7,9H2,1H3,(H,19,21).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91948621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).