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

C14H11FN2O2 — CID 63369663

IUPAC3-amino-6-(3-fluorophenoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3cccc(F)c3)ccc21
InChIInChI=1S/C14H11FN2O2/c15-8-2-1-3-9(6-8)19-10-4-5-11-12(7-10)17-14(18)13(11)16/h1-7,13H,16H2,(H,17,18)
InChIKeyHJVLRBXWHAREPY-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.57
Rot. Bonds2

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

3-amino-6-(3-fluorophenoxy)-1,3-dihydroindol-2-one (PubChem CID 63369663) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 3-amino-6-(3-fluorophenoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(3-fluorophenoxy)-1,3-dihydroindol-2-one
PubChem CID63369663
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name3-amino-6-(3-fluorophenoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3cccc(F)c3)ccc21
InChIInChI=1S/C14H11FN2O2/c15-8-2-1-3-9(6-8)19-10-4-5-11-12(7-10)17-14(18)13(11)16/h1-7,13H,16H2,(H,17,18)
InChIKeyHJVLRBXWHAREPY-UHFFFAOYSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-fluorophenoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(3-fluorophenoxy)-1,3-dihydroindol-2-one (CID 63369663) is 3-amino-6-(3-fluorophenoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(3-fluorophenoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(3-fluorophenoxy)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Oc3cccc(F)c3)ccc21.
What is the InChIKey of 3-amino-6-(3-fluorophenoxy)-1,3-dihydroindol-2-one?
The InChIKey is HJVLRBXWHAREPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-8-2-1-3-9(6-8)19-10-4-5-11-12(7-10)17-14(18)13(11)16/h1-7,13H,16H2,(H,17,18).
What are the key properties of 3-amino-6-(3-fluorophenoxy)-1,3-dihydroindol-2-one?
3-amino-6-(3-fluorophenoxy)-1,3-dihydroindol-2-one has a molecular weight of 258.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-fluorophenoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63369663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).