N-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide

C24H17BrN2O3 — CID 4625573

IUPACN-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2ccccc2C(=O)c2ccccc2)c2ccc(Br)cc12
InChIInChI=1S/C24H17BrN2O3/c25-18-10-11-22-20(12-18)17(15-28)13-27(22)14-23(29)26-21-9-5-4-8-19(21)24(30)16-6-2-1-3-7-16/h1-13,15H,14H2,(H,26,29)
InChIKeySMOUPZUGZIIRJG-UHFFFAOYSA-N
MW461.32 g/mol
LogP5.09
Rot. Bonds6

About N-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide

N-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide (PubChem CID 4625573) has the molecular formula C24H17BrN2O3 and a molecular weight of 461.32 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide
PubChem CID4625573
Molecular FormulaC24H17BrN2O3
Molecular Weight461.32 g/mol
Exact Mass460.04
IUPAC NameN-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2ccccc2C(=O)c2ccccc2)c2ccc(Br)cc12
InChIInChI=1S/C24H17BrN2O3/c25-18-10-11-22-20(12-18)17(15-28)13-27(22)14-23(29)26-21-9-5-4-8-19(21)24(30)16-6-2-1-3-7-16/h1-13,15H,14H2,(H,26,29)
InChIKeySMOUPZUGZIIRJG-UHFFFAOYSA-N
XLogP5.09
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.32
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide 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 N-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide?
The IUPAC name of N-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide (CID 4625573) is N-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide is O=Cc1cn(CC(=O)Nc2ccccc2C(=O)c2ccccc2)c2ccc(Br)cc12.
What is the InChIKey of N-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide?
The InChIKey is SMOUPZUGZIIRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN2O3/c25-18-10-11-22-20(12-18)17(15-28)13-27(22)14-23(29)26-21-9-5-4-8-19(21)24(30)16-6-2-1-3-7-16/h1-13,15H,14H2,(H,26,29).
What are the key properties of N-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide?
N-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide has a molecular weight of 461.32 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide is sourced from PubChem (CID 4625573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).