5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one

C11H13BrN2O — CID 43190052

IUPAC5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCC(C)NC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C11H13BrN2O/c1-6(2)13-10-8-5-7(12)3-4-9(8)14-11(10)15/h3-6,10,13H,1-2H3,(H,14,15)
InChIKeyVTPGJOVMQXGYTP-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.44
Rot. Bonds2

About 5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one

5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 43190052) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID43190052
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCC(C)NC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C11H13BrN2O/c1-6(2)13-10-8-5-7(12)3-4-9(8)14-11(10)15/h3-6,10,13H,1-2H3,(H,14,15)
InChIKeyVTPGJOVMQXGYTP-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one (CID 43190052) is 5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one is CC(C)NC1C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is VTPGJOVMQXGYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-6(2)13-10-8-5-7(12)3-4-9(8)14-11(10)15/h3-6,10,13H,1-2H3,(H,14,15).
What are the key properties of 5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one?
5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 269.14 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43190052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).