3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one

C13H15F3N2O2 — CID 63370367

IUPAC3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(OCC(F)(F)F)ccc21
InChIInChI=1S/C13H15F3N2O2/c1-2-5-17-11-9-4-3-8(20-7-13(14,15)16)6-10(9)18-12(11)19/h3-4,6,11,17H,2,5,7H2,1H3,(H,18,19)
InChIKeyFGCHLIAURRMWOO-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.62
Rot. Bonds5

About 3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one

3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one (PubChem CID 63370367) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
PubChem CID63370367
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(OCC(F)(F)F)ccc21
InChIInChI=1S/C13H15F3N2O2/c1-2-5-17-11-9-4-3-8(20-7-13(14,15)16)6-10(9)18-12(11)19/h3-4,6,11,17H,2,5,7H2,1H3,(H,18,19)
InChIKeyFGCHLIAURRMWOO-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one (CID 63370367) is 3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(OCC(F)(F)F)ccc21.
What is the InChIKey of 3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one?
The InChIKey is FGCHLIAURRMWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-2-5-17-11-9-4-3-8(20-7-13(14,15)16)6-10(9)18-12(11)19/h3-4,6,11,17H,2,5,7H2,1H3,(H,18,19).
What are the key properties of 3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one?
3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one has a molecular weight of 288.27 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63370367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).