2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone

C18H16ClNO3 — CID 51277451

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCc2ccccc21
InChIInChI=1S/C18H16ClNO3/c19-14-9-12(10-16-18(14)23-8-7-22-16)11-17(21)20-6-5-13-3-1-2-4-15(13)20/h1-4,9-10H,5-8,11H2
InChIKeyXLLRPFSAOZBEBM-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.24
Rot. Bonds2

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 51277451) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID51277451
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCc2ccccc21
InChIInChI=1S/C18H16ClNO3/c19-14-9-12(10-16-18(14)23-8-7-22-16)11-17(21)20-6-5-13-3-1-2-4-15(13)20/h1-4,9-10H,5-8,11H2
InChIKeyXLLRPFSAOZBEBM-UHFFFAOYSA-N
XLogP3.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone with MolForge

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Related Compounds

2-[(R)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfinyl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 97017169
1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16582573
3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 16574667
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 2708586
(2S)-1-[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]-2,3-dihydroindole-2-carboxamide
CID 51129098
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 78830027
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone
CID 113199468
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride
CID 99980595
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
CID 119410841
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 35811749
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 55495723

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone (CID 51277451) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone is O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCc2ccccc21.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is XLLRPFSAOZBEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c19-14-9-12(10-16-18(14)23-8-7-22-16)11-17(21)20-6-5-13-3-1-2-4-15(13)20/h1-4,9-10H,5-8,11H2.
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 329.78 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 51277451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).