[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate

C24H21NO4 — CID 16520788

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccccc1COc1ccccc1
InChIInChI=1S/C24H21NO4/c26-23(25-15-14-18-8-5-7-13-22(18)25)17-29-24(27)21-12-6-4-9-19(21)16-28-20-10-2-1-3-11-20/h1-13H,14-17H2
InChIKeyXLJPRFVCQALXBP-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.01
Rot. Bonds6

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate (PubChem CID 16520788) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
PubChem CID16520788
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccccc1COc1ccccc1
InChIInChI=1S/C24H21NO4/c26-23(25-15-14-18-8-5-7-13-22(18)25)17-29-24(27)21-12-6-4-9-19(21)16-28-20-10-2-1-3-11-20/h1-13H,14-17H2
InChIKeyXLJPRFVCQALXBP-UHFFFAOYSA-N
XLogP4.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542921
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 27065887
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 2419372
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619950
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 2715390
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] 1,4-dihydroxynaphthalene-2-carboxylate
CID 4693287
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 3887060
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2467912
1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone
CID 1242466
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate (CID 16520788) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate is O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1COc1ccccc1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
The InChIKey is XLJPRFVCQALXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-23(25-15-14-18-8-5-7-13-22(18)25)17-29-24(27)21-12-6-4-9-19(21)16-28-20-10-2-1-3-11-20/h1-13H,14-17H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate has a molecular weight of 387.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate is sourced from PubChem (CID 16520788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).