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

C18H13Cl2NO3 — CID 3937205

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H13Cl2NO3/c19-14-6-5-11(7-15(14)20)8-18(23)24-10-17(22)13-9-21-16-4-2-1-3-12(13)16/h1-7,9,21H,8,10H2
InChIKeyGHZXCBLLRUMHND-UHFFFAOYSA-N
MW362.21 g/mol
LogP4.44
Rot. Bonds5

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

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (PubChem CID 3937205) has the molecular formula C18H13Cl2NO3 and a molecular weight of 362.21 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
PubChem CID3937205
Molecular FormulaC18H13Cl2NO3
Molecular Weight362.21 g/mol
Exact Mass361.03
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H13Cl2NO3/c19-14-6-5-11(7-15(14)20)8-18(23)24-10-17(22)13-9-21-16-4-2-1-3-12(13)16/h1-7,9,21H,8,10H2
InChIKeyGHZXCBLLRUMHND-UHFFFAOYSA-N
XLogP4.44
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (CID 3937205) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is O=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The InChIKey is GHZXCBLLRUMHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO3/c19-14-6-5-11(7-15(14)20)8-18(23)24-10-17(22)13-9-21-16-4-2-1-3-12(13)16/h1-7,9,21H,8,10H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate has a molecular weight of 362.21 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 3937205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).