1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone

C19H17NO3 — CID 2678416

IUPAC1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone
SMILESCOc1ccc2c(CC(=O)N3CCc4ccccc43)coc2c1
InChIInChI=1S/C19H17NO3/c1-22-15-6-7-16-14(12-23-18(16)11-15)10-19(21)20-9-8-13-4-2-3-5-17(13)20/h2-7,11-12H,8-10H2,1H3
InChIKeyMQZCZRUQFGLEIT-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.57
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone (PubChem CID 2678416) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone
PubChem CID2678416
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone
SMILESCOc1ccc2c(CC(=O)N3CCc4ccccc43)coc2c1
InChIInChI=1S/C19H17NO3/c1-22-15-6-7-16-14(12-23-18(16)11-15)10-19(21)20-9-8-13-4-2-3-5-17(13)20/h2-7,11-12H,8-10H2,1H3
InChIKeyMQZCZRUQFGLEIT-UHFFFAOYSA-N
XLogP3.57
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone (CID 2678416) is 1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone is COc1ccc2c(CC(=O)N3CCc4ccccc43)coc2c1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone?
The InChIKey is MQZCZRUQFGLEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-15-6-7-16-14(12-23-18(16)11-15)10-19(21)20-9-8-13-4-2-3-5-17(13)20/h2-7,11-12H,8-10H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone has a molecular weight of 307.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 2678416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).