5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one

C14H11FN2O2 — CID 58443054

IUPAC5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one
SMILESNc1c(F)cccc1Oc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H11FN2O2/c15-10-2-1-3-12(14(10)16)19-9-4-5-11-8(6-9)7-13(18)17-11/h1-6H,7,16H2,(H,17,18)
InChIKeyFCXVXMKNRYUBIN-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.69
Rot. Bonds2

About 5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one

5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one (PubChem CID 58443054) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one
PubChem CID58443054
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one
SMILESNc1c(F)cccc1Oc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H11FN2O2/c15-10-2-1-3-12(14(10)16)19-9-4-5-11-8(6-9)7-13(18)17-11/h1-6H,7,16H2,(H,17,18)
InChIKeyFCXVXMKNRYUBIN-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one (CID 58443054) is 5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one is Nc1c(F)cccc1Oc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one?
The InChIKey is FCXVXMKNRYUBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-10-2-1-3-12(14(10)16)19-9-4-5-11-8(6-9)7-13(18)17-11/h1-6H,7,16H2,(H,17,18).
What are the key properties of 5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one?
5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one has a molecular weight of 258.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-fluorophenoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 58443054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).