6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one

C11H13BrN2O2 — CID 43190199

IUPAC6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one
SMILESCOCCNC1C(=O)Nc2cc(Br)ccc21
InChIInChI=1S/C11H13BrN2O2/c1-16-5-4-13-10-8-3-2-7(12)6-9(8)14-11(10)15/h2-3,6,10,13H,4-5H2,1H3,(H,14,15)
InChIKeyUCOFDIYHDXKNNV-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.68
Rot. Bonds4

About 6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one

6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one (PubChem CID 43190199) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one
PubChem CID43190199
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one
SMILESCOCCNC1C(=O)Nc2cc(Br)ccc21
InChIInChI=1S/C11H13BrN2O2/c1-16-5-4-13-10-8-3-2-7(12)6-9(8)14-11(10)15/h2-3,6,10,13H,4-5H2,1H3,(H,14,15)
InChIKeyUCOFDIYHDXKNNV-UHFFFAOYSA-N
XLogP1.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one (CID 43190199) is 6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one is COCCNC1C(=O)Nc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one?
The InChIKey is UCOFDIYHDXKNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-16-5-4-13-10-8-3-2-7(12)6-9(8)14-11(10)15/h2-3,6,10,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one?
6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one has a molecular weight of 285.14 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43190199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).