3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one

C24H17BrN2O2 — CID 57396375

IUPAC3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1C(C(=O)c1ccccc1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C24H17BrN2O2/c25-15-10-11-19-17(12-15)18(13-26-19)21(23(28)14-6-2-1-3-7-14)22-16-8-4-5-9-20(16)27-24(22)29/h1-13,21-22,26H,(H,27,29)
InChIKeyOEROHWACZCZDEQ-UHFFFAOYSA-N
MW445.32 g/mol
LogP5.63
Rot. Bonds4

About 3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one

3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one (PubChem CID 57396375) has the molecular formula C24H17BrN2O2 and a molecular weight of 445.32 g/mol. Its IUPAC name is 3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one
PubChem CID57396375
Molecular FormulaC24H17BrN2O2
Molecular Weight445.32 g/mol
Exact Mass444.05
IUPAC Name3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1C(C(=O)c1ccccc1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C24H17BrN2O2/c25-15-10-11-19-17(12-15)18(13-26-19)21(23(28)14-6-2-1-3-7-14)22-16-8-4-5-9-20(16)27-24(22)29/h1-13,21-22,26H,(H,27,29)
InChIKeyOEROHWACZCZDEQ-UHFFFAOYSA-N
XLogP5.63
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.32
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one (CID 57396375) is 3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1C(C(=O)c1ccccc1)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one?
The InChIKey is OEROHWACZCZDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN2O2/c25-15-10-11-19-17(12-15)18(13-26-19)21(23(28)14-6-2-1-3-7-14)22-16-8-4-5-9-20(16)27-24(22)29/h1-13,21-22,26H,(H,27,29).
What are the key properties of 3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one?
3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one has a molecular weight of 445.32 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 57396375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).