5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one

C19H18BrNO3 — CID 3782803

IUPAC5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one
SMILESCCCc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(Br)cc32)cc1
InChIInChI=1S/C19H18BrNO3/c1-2-3-12-4-6-13(7-5-12)17(22)11-19(24)15-10-14(20)8-9-16(15)21-18(19)23/h4-10,24H,2-3,11H2,1H3,(H,21,23)
InChIKeyBASNLOYCXOUPHQ-UHFFFAOYSA-N
MW388.26 g/mol
LogP3.81
Rot. Bonds5

About 5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one

5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one (PubChem CID 3782803) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one
PubChem CID3782803
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC Name5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one
SMILESCCCc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(Br)cc32)cc1
InChIInChI=1S/C19H18BrNO3/c1-2-3-12-4-6-13(7-5-12)17(22)11-19(24)15-10-14(20)8-9-16(15)21-18(19)23/h4-10,24H,2-3,11H2,1H3,(H,21,23)
InChIKeyBASNLOYCXOUPHQ-UHFFFAOYSA-N
XLogP3.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-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 5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one (CID 3782803) is 5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one is CCCc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(Br)cc32)cc1.
What is the InChIKey of 5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one?
The InChIKey is BASNLOYCXOUPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO3/c1-2-3-12-4-6-13(7-5-12)17(22)11-19(24)15-10-14(20)8-9-16(15)21-18(19)23/h4-10,24H,2-3,11H2,1H3,(H,21,23).
What are the key properties of 5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one?
5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one has a molecular weight of 388.26 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one is sourced from PubChem (CID 3782803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).