5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one

C14H17ClN2O2 — CID 106202243

IUPAC5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OCCC3CC3)c(Cl)cc21
InChIInChI=1S/C14H17ClN2O2/c1-16-13-9-6-10(15)12(7-11(9)17-14(13)18)19-5-4-8-2-3-8/h6-8,13,16H,2-5H2,1H3,(H,17,18)
InChIKeyFUJJADKZALGZFD-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.73
Rot. Bonds5

About 5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one

5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 106202243) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID106202243
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OCCC3CC3)c(Cl)cc21
InChIInChI=1S/C14H17ClN2O2/c1-16-13-9-6-10(15)12(7-11(9)17-14(13)18)19-5-4-8-2-3-8/h6-8,13,16H,2-5H2,1H3,(H,17,18)
InChIKeyFUJJADKZALGZFD-UHFFFAOYSA-N
XLogP2.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one (CID 106202243) is 5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(OCCC3CC3)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is FUJJADKZALGZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-16-13-9-6-10(15)12(7-11(9)17-14(13)18)19-5-4-8-2-3-8/h6-8,13,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 280.75 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106202243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).