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

C15H12ClFN2O2 — CID 116689293

IUPAC6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cccc(Cl)c3F)ccc21
InChIInChI=1S/C15H12ClFN2O2/c1-18-14-9-6-5-8(7-11(9)19-15(14)20)21-12-4-2-3-10(16)13(12)17/h2-7,14,18H,1H3,(H,19,20)
InChIKeyOIWWZOZDSNCNJT-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.48
Rot. Bonds3

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

6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 116689293) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is 6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID116689293
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Name6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cccc(Cl)c3F)ccc21
InChIInChI=1S/C15H12ClFN2O2/c1-18-14-9-6-5-8(7-11(9)19-15(14)20)21-12-4-2-3-10(16)13(12)17/h2-7,14,18H,1H3,(H,19,20)
InChIKeyOIWWZOZDSNCNJT-UHFFFAOYSA-N
XLogP3.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-chloro-4-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 63370065
3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one
CID 63647488
6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 63369681
5-chloro-6-(2-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344351
5-chloro-6-(2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344349
3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one
CID 63369717
3-amino-6-(2-chlorophenoxy)-1,3-dihydroindol-2-one
CID 63369740
6-[(2-fluorophenyl)methoxy]-3-(methylamino)-1,3-dihydroindol-2-one
CID 63937563
6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 63369687
6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 114341297
3-(methylamino)-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
CID 63685838
6-(1-ethylpyrazol-4-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 116801695

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one (CID 116689293) is 6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Oc3cccc(Cl)c3F)ccc21.
What is the InChIKey of 6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is OIWWZOZDSNCNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c1-18-14-9-6-5-8(7-11(9)19-15(14)20)21-12-4-2-3-10(16)13(12)17/h2-7,14,18H,1H3,(H,19,20).
What are the key properties of 6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 306.72 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 116689293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).