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

C14H11IN2O2 — CID 63369873

IUPAC3-amino-6-(2-iodophenoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3ccccc3I)ccc21
InChIInChI=1S/C14H11IN2O2/c15-10-3-1-2-4-12(10)19-8-5-6-9-11(7-8)17-14(18)13(9)16/h1-7,13H,16H2,(H,17,18)
InChIKeyZLMCSRAARLNEJQ-UHFFFAOYSA-N
MW366.16 g/mol
LogP3.04
Rot. Bonds2

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

3-amino-6-(2-iodophenoxy)-1,3-dihydroindol-2-one (PubChem CID 63369873) has the molecular formula C14H11IN2O2 and a molecular weight of 366.16 g/mol. Its IUPAC name is 3-amino-6-(2-iodophenoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(2-iodophenoxy)-1,3-dihydroindol-2-one
PubChem CID63369873
Molecular FormulaC14H11IN2O2
Molecular Weight366.16 g/mol
Exact Mass365.99
IUPAC Name3-amino-6-(2-iodophenoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3ccccc3I)ccc21
InChIInChI=1S/C14H11IN2O2/c15-10-3-1-2-4-12(10)19-8-5-6-9-11(7-8)17-14(18)13(9)16/h1-7,13H,16H2,(H,17,18)
InChIKeyZLMCSRAARLNEJQ-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-iodophenoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(2-iodophenoxy)-1,3-dihydroindol-2-one (CID 63369873) is 3-amino-6-(2-iodophenoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(2-iodophenoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(2-iodophenoxy)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Oc3ccccc3I)ccc21.
What is the InChIKey of 3-amino-6-(2-iodophenoxy)-1,3-dihydroindol-2-one?
The InChIKey is ZLMCSRAARLNEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O2/c15-10-3-1-2-4-12(10)19-8-5-6-9-11(7-8)17-14(18)13(9)16/h1-7,13H,16H2,(H,17,18).
What are the key properties of 3-amino-6-(2-iodophenoxy)-1,3-dihydroindol-2-one?
3-amino-6-(2-iodophenoxy)-1,3-dihydroindol-2-one has a molecular weight of 366.16 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-iodophenoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63369873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).