[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate

C18H16FNO3 — CID 2335220

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H16FNO3/c19-15-7-3-1-6-14(15)11-18(22)23-12-17(21)20-10-9-13-5-2-4-8-16(13)20/h1-8H,9-12H2
InChIKeyKNCOMSRWKFOVRN-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.50
Rot. Bonds4

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 2335220) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID2335220
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H16FNO3/c19-15-7-3-1-6-14(15)11-18(22)23-12-17(21)20-10-9-13-5-2-4-8-16(13)20/h1-8H,9-12H2
InChIKeyKNCOMSRWKFOVRN-UHFFFAOYSA-N
XLogP2.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 2335220) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate is O=C(Cc1ccccc1F)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is KNCOMSRWKFOVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c19-15-7-3-1-6-14(15)11-18(22)23-12-17(21)20-10-9-13-5-2-4-8-16(13)20/h1-8H,9-12H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 313.33 g/mol, XLogP of 2.50, 4 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-(2-fluorophenyl)acetate is sourced from PubChem (CID 2335220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).