N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-6-carboxamide

C16H18N2O2 — CID 10445840

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-6-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc2ccoc2c1
InChIInChI=1S/C16H18N2O2/c19-16(13-2-1-12-5-8-20-15(12)9-13)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
InChIKeyLGWFAAILRNJWJB-AWEZNQCLSA-N
MW270.33 g/mol
LogP2.26
Rot. Bonds2

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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-6-carboxamide (PubChem CID 10445840) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-6-carboxamide
PubChem CID10445840
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-6-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc2ccoc2c1
InChIInChI=1S/C16H18N2O2/c19-16(13-2-1-12-5-8-20-15(12)9-13)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
InChIKeyLGWFAAILRNJWJB-AWEZNQCLSA-N
XLogP2.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-6-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-6-carboxamide (CID 10445840) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-6-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-6-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-6-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccoc2c1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-6-carboxamide?
The InChIKey is LGWFAAILRNJWJB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(13-2-1-12-5-8-20-15(12)9-13)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-6-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-6-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-6-carboxamide is sourced from PubChem (CID 10445840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).