3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide

C13H14N2O3 — CID 10198772

IUPAC3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide
SMILESCC(=O)NCCc1coc2ccc(C(N)=O)cc12
InChIInChI=1S/C13H14N2O3/c1-8(16)15-5-4-10-7-18-12-3-2-9(13(14)17)6-11(10)12/h2-3,6-7H,4-5H2,1H3,(H2,14,17)(H,15,16)
InChIKeyVIEBSWGQQLTIQK-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.21
Rot. Bonds4

About 3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide

3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide (PubChem CID 10198772) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide
PubChem CID10198772
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide
SMILESCC(=O)NCCc1coc2ccc(C(N)=O)cc12
InChIInChI=1S/C13H14N2O3/c1-8(16)15-5-4-10-7-18-12-3-2-9(13(14)17)6-11(10)12/h2-3,6-7H,4-5H2,1H3,(H2,14,17)(H,15,16)
InChIKeyVIEBSWGQQLTIQK-UHFFFAOYSA-N
XLogP1.21
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide?
The IUPAC name of 3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide (CID 10198772) is 3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide.
What is the SMILES notation for 3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide?
The canonical SMILES for 3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide is CC(=O)NCCc1coc2ccc(C(N)=O)cc12.
What is the InChIKey of 3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide?
The InChIKey is VIEBSWGQQLTIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8(16)15-5-4-10-7-18-12-3-2-9(13(14)17)6-11(10)12/h2-3,6-7H,4-5H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide?
3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide is sourced from PubChem (CID 10198772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).