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

C13H14ClF3N2O2 — CID 79344325

IUPAC5-chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(OCC(F)(F)F)c(Cl)cc21
InChIInChI=1S/C13H14ClF3N2O2/c1-2-3-18-11-7-4-8(14)10(21-6-13(15,16)17)5-9(7)19-12(11)20/h4-5,11,18H,2-3,6H2,1H3,(H,19,20)
InChIKeyOEODWKPNXXDRAT-UHFFFAOYSA-N
MW322.71 g/mol
LogP3.27
Rot. Bonds5

About 5-chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one

5-chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one (PubChem CID 79344325) has the molecular formula C13H14ClF3N2O2 and a molecular weight of 322.71 g/mol. Its IUPAC name is 5-chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
PubChem CID79344325
Molecular FormulaC13H14ClF3N2O2
Molecular Weight322.71 g/mol
Exact Mass322.07
IUPAC Name5-chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(OCC(F)(F)F)c(Cl)cc21
InChIInChI=1S/C13H14ClF3N2O2/c1-2-3-18-11-7-4-8(14)10(21-6-13(15,16)17)5-9(7)19-12(11)20/h4-5,11,18H,2-3,6H2,1H3,(H,19,20)
InChIKeyOEODWKPNXXDRAT-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one (CID 79344325) is 5-chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(OCC(F)(F)F)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one?
The InChIKey is OEODWKPNXXDRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O2/c1-2-3-18-11-7-4-8(14)10(21-6-13(15,16)17)5-9(7)19-12(11)20/h4-5,11,18H,2-3,6H2,1H3,(H,19,20).
What are the key properties of 5-chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one?
5-chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one has a molecular weight of 322.71 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).