N-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide

C17H19NO3 — CID 6471921

IUPACN-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3CC4CCC3C4)oc12
InChIInChI=1S/C17H19NO3/c1-20-14-4-2-3-12-9-15(21-16(12)14)17(19)18-13-8-10-5-6-11(13)7-10/h2-4,9-11,13H,5-8H2,1H3,(H,18,19)
InChIKeyPJQUPPUNYDSUNW-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.36
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 6471921) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID6471921
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3CC4CCC3C4)oc12
InChIInChI=1S/C17H19NO3/c1-20-14-4-2-3-12-9-15(21-16(12)14)17(19)18-13-8-10-5-6-11(13)7-10/h2-4,9-11,13H,5-8H2,1H3,(H,18,19)
InChIKeyPJQUPPUNYDSUNW-UHFFFAOYSA-N
XLogP3.36
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide (CID 6471921) is N-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NC3CC4CCC3C4)oc12.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is PJQUPPUNYDSUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-14-4-2-3-12-9-15(21-16(12)14)17(19)18-13-8-10-5-6-11(13)7-10/h2-4,9-11,13H,5-8H2,1H3,(H,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6471921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).