5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one

C17H12Br2N2O3 — CID 15999815

IUPAC5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one
SMILESCN1C(=O)C(O)(C2C(=O)Nc3ccc(Br)cc32)c2cc(Br)ccc21
InChIInChI=1S/C17H12Br2N2O3/c1-21-13-5-3-9(19)7-11(13)17(24,16(21)23)14-10-6-8(18)2-4-12(10)20-15(14)22/h2-7,14,24H,1H3,(H,20,22)
InChIKeyBBPZTHXKOLLWJO-UHFFFAOYSA-N
MW452.10 g/mol
LogP3.11
Rot. Bonds1

About 5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one

5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one (PubChem CID 15999815) has the molecular formula C17H12Br2N2O3 and a molecular weight of 452.10 g/mol. Its IUPAC name is 5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one
PubChem CID15999815
Molecular FormulaC17H12Br2N2O3
Molecular Weight452.10 g/mol
Exact Mass449.92
IUPAC Name5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one
SMILESCN1C(=O)C(O)(C2C(=O)Nc3ccc(Br)cc32)c2cc(Br)ccc21
InChIInChI=1S/C17H12Br2N2O3/c1-21-13-5-3-9(19)7-11(13)17(24,16(21)23)14-10-6-8(18)2-4-12(10)20-15(14)22/h2-7,14,24H,1H3,(H,20,22)
InChIKeyBBPZTHXKOLLWJO-UHFFFAOYSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.10
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one?
The IUPAC name of 5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one (CID 15999815) is 5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one.
What is the SMILES notation for 5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one?
The canonical SMILES for 5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one is CN1C(=O)C(O)(C2C(=O)Nc3ccc(Br)cc32)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one?
The InChIKey is BBPZTHXKOLLWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2N2O3/c1-21-13-5-3-9(19)7-11(13)17(24,16(21)23)14-10-6-8(18)2-4-12(10)20-15(14)22/h2-7,14,24H,1H3,(H,20,22).
What are the key properties of 5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one?
5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one has a molecular weight of 452.10 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-3-hydroxy-1-methylindol-2-one is sourced from PubChem (CID 15999815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).