3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one

C17H13BrN2O3 — CID 15998928

IUPAC3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)C(O)(C1C(=O)Nc3ccc(Br)cc31)C(=O)N2
InChIInChI=1S/C17H13BrN2O3/c1-8-2-4-13-11(6-8)17(23,16(22)20-13)14-10-7-9(18)3-5-12(10)19-15(14)21/h2-7,14,23H,1H3,(H,19,21)(H,20,22)
InChIKeyKLHOTKWTVSLUEL-UHFFFAOYSA-N
MW373.21 g/mol
LogP2.63
Rot. Bonds1

About 3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one

3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one (PubChem CID 15998928) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is 3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one
PubChem CID15998928
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC Name3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)C(O)(C1C(=O)Nc3ccc(Br)cc31)C(=O)N2
InChIInChI=1S/C17H13BrN2O3/c1-8-2-4-13-11(6-8)17(23,16(22)20-13)14-10-7-9(18)3-5-12(10)19-15(14)21/h2-7,14,23H,1H3,(H,19,21)(H,20,22)
InChIKeyKLHOTKWTVSLUEL-UHFFFAOYSA-N
XLogP2.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one?
The IUPAC name of 3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one (CID 15998928) is 3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one.
What is the SMILES notation for 3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one?
The canonical SMILES for 3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one is Cc1ccc2c(c1)C(O)(C1C(=O)Nc3ccc(Br)cc31)C(=O)N2.
What is the InChIKey of 3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one?
The InChIKey is KLHOTKWTVSLUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c1-8-2-4-13-11(6-8)17(23,16(22)20-13)14-10-7-9(18)3-5-12(10)19-15(14)21/h2-7,14,23H,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one?
3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one has a molecular weight of 373.21 g/mol, XLogP of 2.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-5-methyl-1H-indol-2-one is sourced from PubChem (CID 15998928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).