N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide

C17H13NO4 — CID 775160

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc2ccccc2o1
InChIInChI=1S/C17H13NO4/c19-17(16-9-11-3-1-2-4-13(11)22-16)18-12-5-6-14-15(10-12)21-8-7-20-14/h1-6,9-10H,7-8H2,(H,18,19)
InChIKeyDCCNIOKRCSFGQE-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.46
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide (PubChem CID 775160) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide
PubChem CID775160
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc2ccccc2o1
InChIInChI=1S/C17H13NO4/c19-17(16-9-11-3-1-2-4-13(11)22-16)18-12-5-6-14-15(10-12)21-8-7-20-14/h1-6,9-10H,7-8H2,(H,18,19)
InChIKeyDCCNIOKRCSFGQE-UHFFFAOYSA-N
XLogP3.46
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide (CID 775160) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cc2ccccc2o1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide?
The InChIKey is DCCNIOKRCSFGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-17(16-9-11-3-1-2-4-13(11)22-16)18-12-5-6-14-15(10-12)21-8-7-20-14/h1-6,9-10H,7-8H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 775160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).