N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide

C15H16N2O2 — CID 98077658

IUPACN-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2C[C@@H]1CN2)c1ccc2ccoc2c1
InChIInChI=1S/C15H16N2O2/c18-15(17-13-7-12-5-11(13)8-16-12)10-2-1-9-3-4-19-14(9)6-10/h1-4,6,11-13,16H,5,7-8H2,(H,17,18)/t11-,12+,13-/m1/s1
InChIKeyPLFIZBCLFKRYLR-FRRDWIJNSA-N
MW256.30 g/mol
LogP1.91
Rot. Bonds2

About N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide

N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide (PubChem CID 98077658) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide.

Molecular Properties

Compound NameN-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide
PubChem CID98077658
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC NameN-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2C[C@@H]1CN2)c1ccc2ccoc2c1
InChIInChI=1S/C15H16N2O2/c18-15(17-13-7-12-5-11(13)8-16-12)10-2-1-9-3-4-19-14(9)6-10/h1-4,6,11-13,16H,5,7-8H2,(H,17,18)/t11-,12+,13-/m1/s1
InChIKeyPLFIZBCLFKRYLR-FRRDWIJNSA-N
XLogP1.91
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide
CID 129449962
N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyano-1-benzofuran-6-carboxamide
CID 10171624
N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide
CID 10192822
N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide
CID 22313280
N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide
CID 98096202
4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-5-yl)benzamide
CID 22573485
N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide
CID 22481709
N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide
CID 98077637
N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide
CID 22565606
N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide
CID 93499231
N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 93499229
N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide
CID 22573318

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide?
The IUPAC name of N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide (CID 98077658) is N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide.
What is the SMILES notation for N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide?
The canonical SMILES for N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide is O=C(N[C@@H]1C[C@@H]2C[C@@H]1CN2)c1ccc2ccoc2c1.
What is the InChIKey of N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide?
The InChIKey is PLFIZBCLFKRYLR-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(17-13-7-12-5-11(13)8-16-12)10-2-1-9-3-4-19-14(9)6-10/h1-4,6,11-13,16H,5,7-8H2,(H,17,18)/t11-,12+,13-/m1/s1.
What are the key properties of N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide?
N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide is sourced from PubChem (CID 98077658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).