N-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide

C17H13NO4 — CID 673861

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc2ccccc2o1
InChIInChI=1S/C17H13NO4/c19-17(16-8-12-3-1-2-4-13(12)22-16)18-9-11-5-6-14-15(7-11)21-10-20-14/h1-8H,9-10H2,(H,18,19)
InChIKeyANXDUXBVVCUTGA-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.09
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 673861) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID673861
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc2ccccc2o1
InChIInChI=1S/C17H13NO4/c19-17(16-8-12-3-1-2-4-13(12)22-16)18-9-11-5-6-14-15(7-11)21-10-20-14/h1-8H,9-10H2,(H,18,19)
InChIKeyANXDUXBVVCUTGA-UHFFFAOYSA-N
XLogP3.09
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide (CID 673861) is N-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cc2ccccc2o1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ANXDUXBVVCUTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-17(16-8-12-3-1-2-4-13(12)22-16)18-9-11-5-6-14-15(7-11)21-10-20-14/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 673861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).