5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one

C20H14BrNO3 — CID 68752743

IUPAC5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one
SMILESO=C(CN1C(=O)C(O)c2cc(Br)ccc21)c1ccc2ccccc2c1
InChIInChI=1S/C20H14BrNO3/c21-15-7-8-17-16(10-15)19(24)20(25)22(17)11-18(23)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,19,24H,11H2
InChIKeyMZUWJGAVJGLQHO-UHFFFAOYSA-N
MW396.24 g/mol
LogP3.87
Rot. Bonds3

About 5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one

5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one (PubChem CID 68752743) has the molecular formula C20H14BrNO3 and a molecular weight of 396.24 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one
PubChem CID68752743
Molecular FormulaC20H14BrNO3
Molecular Weight396.24 g/mol
Exact Mass395.02
IUPAC Name5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one
SMILESO=C(CN1C(=O)C(O)c2cc(Br)ccc21)c1ccc2ccccc2c1
InChIInChI=1S/C20H14BrNO3/c21-15-7-8-17-16(10-15)19(24)20(25)22(17)11-18(23)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,19,24H,11H2
InChIKeyMZUWJGAVJGLQHO-UHFFFAOYSA-N
XLogP3.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one (CID 68752743) is 5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one is O=C(CN1C(=O)C(O)c2cc(Br)ccc21)c1ccc2ccccc2c1.
What is the InChIKey of 5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one?
The InChIKey is MZUWJGAVJGLQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO3/c21-15-7-8-17-16(10-15)19(24)20(25)22(17)11-18(23)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,19,24H,11H2.
What are the key properties of 5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one?
5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one has a molecular weight of 396.24 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-1-(2-naphthalen-2-yl-2-oxoethyl)-3H-indol-2-one is sourced from PubChem (CID 68752743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).