3-acetamido-2-benzofuran-1-carboxylic acid

C11H9NO4 — CID 67529280

IUPAC3-acetamido-2-benzofuran-1-carboxylic acid
SMILESCC(=O)Nc1oc(C(=O)O)c2ccccc12
InChIInChI=1S/C11H9NO4/c1-6(13)12-10-8-5-3-2-4-7(8)9(16-10)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyMNMIIZOXIIETGG-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.09
Rot. Bonds2

About 3-acetamido-2-benzofuran-1-carboxylic acid

3-acetamido-2-benzofuran-1-carboxylic acid (PubChem CID 67529280) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-acetamido-2-benzofuran-1-carboxylic acid.

Molecular Properties

Compound Name3-acetamido-2-benzofuran-1-carboxylic acid
PubChem CID67529280
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name3-acetamido-2-benzofuran-1-carboxylic acid
SMILESCC(=O)Nc1oc(C(=O)O)c2ccccc12
InChIInChI=1S/C11H9NO4/c1-6(13)12-10-8-5-3-2-4-7(8)9(16-10)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyMNMIIZOXIIETGG-UHFFFAOYSA-N
XLogP2.09
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-2-benzofuran-1-carboxylic acid?
The IUPAC name of 3-acetamido-2-benzofuran-1-carboxylic acid (CID 67529280) is 3-acetamido-2-benzofuran-1-carboxylic acid.
What is the SMILES notation for 3-acetamido-2-benzofuran-1-carboxylic acid?
The canonical SMILES for 3-acetamido-2-benzofuran-1-carboxylic acid is CC(=O)Nc1oc(C(=O)O)c2ccccc12.
What is the InChIKey of 3-acetamido-2-benzofuran-1-carboxylic acid?
The InChIKey is MNMIIZOXIIETGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-6(13)12-10-8-5-3-2-4-7(8)9(16-10)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-acetamido-2-benzofuran-1-carboxylic acid?
3-acetamido-2-benzofuran-1-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-2-benzofuran-1-carboxylic acid is sourced from PubChem (CID 67529280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).