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

C18H14F3NO3 — CID 2430442

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(trifluoromethyl)benzoate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3NO3/c19-18(20,21)14-6-3-5-13(10-14)17(24)25-11-16(23)22-9-8-12-4-1-2-7-15(12)22/h1-7,10H,8-9,11H2
InChIKeyVGANNLSSPWGEPR-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.45
Rot. Bonds3

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

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(trifluoromethyl)benzoate (PubChem CID 2430442) has the molecular formula C18H14F3NO3 and a molecular weight of 349.31 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(trifluoromethyl)benzoate
PubChem CID2430442
Molecular FormulaC18H14F3NO3
Molecular Weight349.31 g/mol
Exact Mass349.09
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(trifluoromethyl)benzoate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3NO3/c19-18(20,21)14-6-3-5-13(10-14)17(24)25-11-16(23)22-9-8-12-4-1-2-7-15(12)22/h1-7,10H,8-9,11H2
InChIKeyVGANNLSSPWGEPR-UHFFFAOYSA-N
XLogP3.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.45
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] 3-(trifluoromethyl)benzoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(trifluoromethyl)benzoate (CID 2430442) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(trifluoromethyl)benzoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(trifluoromethyl)benzoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(trifluoromethyl)benzoate is O=C(OCC(=O)N1CCc2ccccc21)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(trifluoromethyl)benzoate?
The InChIKey is VGANNLSSPWGEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3/c19-18(20,21)14-6-3-5-13(10-14)17(24)25-11-16(23)22-9-8-12-4-1-2-7-15(12)22/h1-7,10H,8-9,11H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(trifluoromethyl)benzoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(trifluoromethyl)benzoate has a molecular weight of 349.31 g/mol, XLogP of 3.45, 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] 3-(trifluoromethyl)benzoate is sourced from PubChem (CID 2430442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).