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

C18H13BrClNO4 — CID 3496931

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Br)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H13BrClNO4/c19-14-7-11(20)5-6-17(14)24-10-18(23)25-9-16(22)13-8-21-15-4-2-1-3-12(13)15/h1-8,21H,9-10H2
InChIKeyHAVNFKSYCRSCNT-UHFFFAOYSA-N
MW422.66 g/mol
LogP4.39
Rot. Bonds6

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

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate (PubChem CID 3496931) has the molecular formula C18H13BrClNO4 and a molecular weight of 422.66 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
PubChem CID3496931
Molecular FormulaC18H13BrClNO4
Molecular Weight422.66 g/mol
Exact Mass420.97
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Br)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H13BrClNO4/c19-14-7-11(20)5-6-17(14)24-10-18(23)25-9-16(22)13-8-21-15-4-2-1-3-12(13)15/h1-8,21H,9-10H2
InChIKeyHAVNFKSYCRSCNT-UHFFFAOYSA-N
XLogP4.39
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.66
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)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] 2-(3-bromophenoxy)acetate
CID 7694694
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
(2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate
CID 26212995
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2453233
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 4004655
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865660
[2-(1H-indol-3-yl)-2-oxoethyl] 4-(3-bromophenoxy)butanoate
CID 3913854
[2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035639
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2689726
[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 6179575
[2-(1H-indol-3-yl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 2122419

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate (CID 3496931) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1Br)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate?
The InChIKey is HAVNFKSYCRSCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClNO4/c19-14-7-11(20)5-6-17(14)24-10-18(23)25-9-16(22)13-8-21-15-4-2-1-3-12(13)15/h1-8,21H,9-10H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate has a molecular weight of 422.66 g/mol, XLogP of 4.39, 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-(2-bromo-4-chlorophenoxy)acetate is sourced from PubChem (CID 3496931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).