3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one

C14H10BrFN2O2 — CID 63369652

IUPAC3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3ccc(Br)cc3F)ccc21
InChIInChI=1S/C14H10BrFN2O2/c15-7-1-4-12(10(16)5-7)20-8-2-3-9-11(6-8)18-14(19)13(9)17/h1-6,13H,17H2,(H,18,19)
InChIKeyRUPLJESAIHLIDW-UHFFFAOYSA-N
MW337.15 g/mol
LogP3.33
Rot. Bonds2

About 3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one

3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one (PubChem CID 63369652) has the molecular formula C14H10BrFN2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is 3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one
PubChem CID63369652
Molecular FormulaC14H10BrFN2O2
Molecular Weight337.15 g/mol
Exact Mass335.99
IUPAC Name3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3ccc(Br)cc3F)ccc21
InChIInChI=1S/C14H10BrFN2O2/c15-7-1-4-12(10(16)5-7)20-8-2-3-9-11(6-8)18-14(19)13(9)17/h1-6,13H,17H2,(H,18,19)
InChIKeyRUPLJESAIHLIDW-UHFFFAOYSA-N
XLogP3.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one (CID 63369652) is 3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Oc3ccc(Br)cc3F)ccc21.
What is the InChIKey of 3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one?
The InChIKey is RUPLJESAIHLIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2/c15-7-1-4-12(10(16)5-7)20-8-2-3-9-11(6-8)18-14(19)13(9)17/h1-6,13H,17H2,(H,18,19).
What are the key properties of 3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one?
3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one has a molecular weight of 337.15 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-bromo-2-fluorophenoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63369652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).