1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid

C23H17NO4 — CID 146091393

IUPAC1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)Cc2cc3c(ccc4ccccc43)o2)c2ccccc21
InChIInChI=1S/C23H17NO4/c25-22(24-13-19(23(26)27)17-7-3-4-8-20(17)24)12-15-11-18-16-6-2-1-5-14(16)9-10-21(18)28-15/h1-11,19H,12-13H2,(H,26,27)
InChIKeyXYBOUZZBAFCJOH-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.34
Rot. Bonds3

About 1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid

1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 146091393) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID146091393
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)Cc2cc3c(ccc4ccccc43)o2)c2ccccc21
InChIInChI=1S/C23H17NO4/c25-22(24-13-19(23(26)27)17-7-3-4-8-20(17)24)12-15-11-18-16-6-2-1-5-14(16)9-10-21(18)28-15/h1-11,19H,12-13H2,(H,26,27)
InChIKeyXYBOUZZBAFCJOH-UHFFFAOYSA-N
XLogP4.34
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid (CID 146091393) is 1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid is O=C(O)C1CN(C(=O)Cc2cc3c(ccc4ccccc43)o2)c2ccccc21.
What is the InChIKey of 1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is XYBOUZZBAFCJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c25-22(24-13-19(23(26)27)17-7-3-4-8-20(17)24)12-15-11-18-16-6-2-1-5-14(16)9-10-21(18)28-15/h1-11,19H,12-13H2,(H,26,27).
What are the key properties of 1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid?
1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 146091393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).