3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one

C11H13BrN2O2 — CID 79343739

IUPAC3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one
SMILESCC(C)Oc1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C11H13BrN2O2/c1-5(2)16-9-4-8-6(3-7(9)12)10(13)11(15)14-8/h3-5,10H,13H2,1-2H3,(H,14,15)
InChIKeyNBDGFTGIZBJYKV-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.19
Rot. Bonds2

About 3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one

3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one (PubChem CID 79343739) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one
PubChem CID79343739
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one
SMILESCC(C)Oc1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C11H13BrN2O2/c1-5(2)16-9-4-8-6(3-7(9)12)10(13)11(15)14-8/h3-5,10H,13H2,1-2H3,(H,14,15)
InChIKeyNBDGFTGIZBJYKV-UHFFFAOYSA-N
XLogP2.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one
CID 79343294
3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79342600
3-amino-5-bromo-6-butoxy-1,3-dihydroindol-2-one
CID 79344411
3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one
CID 102982290
3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
CID 79344004
3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one
CID 82955288
3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one
CID 79343756
3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one
CID 81314354
4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile
CID 79344593
3-amino-5-bromo-6-(2-methoxyethylsulfanyl)-1,3-dihydroindol-2-one
CID 79345087
3-amino-5-bromo-6-(thiophen-2-ylmethoxy)-1,3-dihydroindol-2-one
CID 79342834
5-bromo-3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one
CID 79344405

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one (CID 79343739) is 3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one is CC(C)Oc1cc2c(cc1Br)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one?
The InChIKey is NBDGFTGIZBJYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-5(2)16-9-4-8-6(3-7(9)12)10(13)11(15)14-8/h3-5,10H,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one has a molecular weight of 285.14 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).