[2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C18H14BrNO3 — CID 582543

IUPAC[2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H14BrNO3/c19-14-7-5-12(6-8-14)17(21)11-23-18(22)9-13-10-20-16-4-2-1-3-15(13)16/h1-8,10,20H,9,11H2
InChIKeyLMSQVGSOQYEZIY-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.90
Rot. Bonds5

About [2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 582543) has the molecular formula C18H14BrNO3 and a molecular weight of 372.22 g/mol. Its IUPAC name is [2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID582543
Molecular FormulaC18H14BrNO3
Molecular Weight372.22 g/mol
Exact Mass371.02
IUPAC Name[2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H14BrNO3/c19-14-7-5-12(6-8-14)17(21)11-23-18(22)9-13-10-20-16-4-2-1-3-15(13)16/h1-8,10,20H,9,11H2
InChIKeyLMSQVGSOQYEZIY-UHFFFAOYSA-N
XLogP3.90
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate 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 [2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 582543) is [2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is O=C(Cc1c[nH]c2ccccc12)OCC(=O)c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is LMSQVGSOQYEZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO3/c19-14-7-5-12(6-8-14)17(21)11-23-18(22)9-13-10-20-16-4-2-1-3-15(13)16/h1-8,10,20H,9,11H2.
What are the key properties of [2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 372.22 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 582543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).