[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate

C17H13Cl2NO3 — CID 2467912

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl2NO3/c18-12-5-3-6-13(19)16(12)17(22)23-10-15(21)20-9-8-11-4-1-2-7-14(11)20/h1-7H,8-10H2
InChIKeyGUYCXFQWNWHBJC-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.74
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate (PubChem CID 2467912) has the molecular formula C17H13Cl2NO3 and a molecular weight of 350.20 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
PubChem CID2467912
Molecular FormulaC17H13Cl2NO3
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl2NO3/c18-12-5-3-6-13(19)16(12)17(22)23-10-15(21)20-9-8-11-4-1-2-7-14(11)20/h1-7H,8-10H2
InChIKeyGUYCXFQWNWHBJC-UHFFFAOYSA-N
XLogP3.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate with MolForge

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] anthracene-9-carboxylate
CID 4044889
[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 16523225
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619950
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 4790301
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2715336
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate
CID 2429900
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-chloro-4-nitrobenzoate
CID 2433629
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 7904528
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 27065887

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate (CID 2467912) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate is O=C(OCC(=O)N1CCc2ccccc21)c1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate?
The InChIKey is GUYCXFQWNWHBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3/c18-12-5-3-6-13(19)16(12)17(22)23-10-15(21)20-9-8-11-4-1-2-7-14(11)20/h1-7H,8-10H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate has a molecular weight of 350.20 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 2467912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).