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

C18H14BrNO4 — CID 7694694

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
SMILESO=C(COc1cccc(Br)c1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H14BrNO4/c19-12-4-3-5-13(8-12)23-11-18(22)24-10-17(21)15-9-20-16-7-2-1-6-14(15)16/h1-9,20H,10-11H2
InChIKeyUGVNWRAWIJTEJA-UHFFFAOYSA-N
MW388.22 g/mol
LogP3.74
Rot. Bonds6

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

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate (PubChem CID 7694694) has the molecular formula C18H14BrNO4 and a molecular weight of 388.22 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
PubChem CID7694694
Molecular FormulaC18H14BrNO4
Molecular Weight388.22 g/mol
Exact Mass387.01
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
SMILESO=C(COc1cccc(Br)c1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H14BrNO4/c19-12-4-3-5-13(8-12)23-11-18(22)24-10-17(21)15-9-20-16-7-2-1-6-14(15)16/h1-9,20H,10-11H2
InChIKeyUGVNWRAWIJTEJA-UHFFFAOYSA-N
XLogP3.74
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1H-indol-3-yl)-2-oxoethyl] 4-(3-bromophenoxy)butanoate
CID 3913854
2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate
CID 7492982
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 4004655
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3496931
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(3-bromophenoxy)acetate
CID 7694597
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
N-[4-(3-bromophenoxy)but-2-ynyl]-1H-indole-3-carboxamide
CID 90576568
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694899
2-(3-bromophenoxy)ethyl 2-phenoxyacetate
CID 55313634
[2-(1H-indol-3-yl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 2122419
[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenylsulfanylacetate
CID 3362624

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate (CID 7694694) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate is O=C(COc1cccc(Br)c1)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The InChIKey is UGVNWRAWIJTEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO4/c19-12-4-3-5-13(8-12)23-11-18(22)24-10-17(21)15-9-20-16-7-2-1-6-14(15)16/h1-9,20H,10-11H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate has a molecular weight of 388.22 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate is sourced from PubChem (CID 7694694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).