6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one

C15H13ClN2O2 — CID 63369681

IUPAC6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cccc(Cl)c3)ccc21
InChIInChI=1S/C15H13ClN2O2/c1-17-14-12-6-5-11(8-13(12)18-15(14)19)20-10-4-2-3-9(16)7-10/h2-8,14,17H,1H3,(H,18,19)
InChIKeyAHLJJTBFNKCBBQ-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.34
Rot. Bonds3

About 6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one

6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 63369681) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID63369681
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cccc(Cl)c3)ccc21
InChIInChI=1S/C15H13ClN2O2/c1-17-14-12-6-5-11(8-13(12)18-15(14)19)20-10-4-2-3-9(16)7-10/h2-8,14,17H,1H3,(H,18,19)
InChIKeyAHLJJTBFNKCBBQ-UHFFFAOYSA-N
XLogP3.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one (CID 63369681) is 6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Oc3cccc(Cl)c3)ccc21.
What is the InChIKey of 6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is AHLJJTBFNKCBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-17-14-12-6-5-11(8-13(12)18-15(14)19)20-10-4-2-3-9(16)7-10/h2-8,14,17H,1H3,(H,18,19).
What are the key properties of 6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 288.73 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63369681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).