N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-5-nitro-1-benzofuran-2-carboxamide

HCID 59341432
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Basic information

Standard SMILES
O=C(N[C@H]1CN2CCC1CC2)c1cc2cc([N+](=O)[O-])ccc2o1
InChIKey
LGMSVIRMXFTRMS-ZDUSSCGKSA-N
Molecular formula
C16H17N3O4
Average molar mass
315.32 g/mol

Names & identifiers

Preferred name
N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-5-nitro-1-benzofuran-2-carboxamide
IUPAC
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-nitro-1-benzofuran-2-carboxamide

Names & synonyms

SCHEMBL2895559LGMSVIRMXFTRMS-ZDUSSCGKSA-NN-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-5-nitro-1-benzofuran-2-carboxamide

Database identifiers

PubChem CID
59341432

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
91.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
23

Related reactions

6 records
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Linked notes

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