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

C15H16N2O2 — CID 98096202

IUPACN-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2CN[C@@H]1C2)c1ccc2occc2c1
InChIInChI=1S/C15H16N2O2/c18-15(17-13-6-9-5-12(13)16-8-9)11-1-2-14-10(7-11)3-4-19-14/h1-4,7,9,12-13,16H,5-6,8H2,(H,17,18)/t9-,12-,13+/m1/s1
InChIKeyBHXUIOARKNDLDF-WQAKAFBOSA-N
MW256.30 g/mol
LogP1.91
Rot. Bonds2

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

N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide (PubChem CID 98096202) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide
PubChem CID98096202
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC NameN-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2CN[C@@H]1C2)c1ccc2occc2c1
InChIInChI=1S/C15H16N2O2/c18-15(17-13-6-9-5-12(13)16-8-9)11-1-2-14-10(7-11)3-4-19-14/h1-4,7,9,12-13,16H,5-6,8H2,(H,17,18)/t9-,12-,13+/m1/s1
InChIKeyBHXUIOARKNDLDF-WQAKAFBOSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide (CID 98096202) is N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide is O=C(N[C@H]1C[C@@H]2CN[C@@H]1C2)c1ccc2occc2c1.
What is the InChIKey of N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide?
The InChIKey is BHXUIOARKNDLDF-WQAKAFBOSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(17-13-6-9-5-12(13)16-8-9)11-1-2-14-10(7-11)3-4-19-14/h1-4,7,9,12-13,16H,5-6,8H2,(H,17,18)/t9-,12-,13+/m1/s1.
What are the key properties of N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide?
N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-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-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 98096202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).