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

C18H14ClNO3 — CID 4201325

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H14ClNO3/c19-13-7-5-12(6-8-13)9-18(22)23-11-17(21)15-10-20-16-4-2-1-3-14(15)16/h1-8,10,20H,9,11H2
InChIKeyKFGPUEJBCYGZLU-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.79
Rot. Bonds5

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

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 4201325) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID4201325
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H14ClNO3/c19-13-7-5-12(6-8-13)9-18(22)23-11-17(21)15-10-20-16-4-2-1-3-14(15)16/h1-8,10,20H,9,11H2
InChIKeyKFGPUEJBCYGZLU-UHFFFAOYSA-N
XLogP3.79
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.79
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-(4-chlorophenyl)acetate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 4201325) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate is O=C(Cc1ccc(Cl)cc1)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is KFGPUEJBCYGZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c19-13-7-5-12(6-8-13)9-18(22)23-11-17(21)15-10-20-16-4-2-1-3-14(15)16/h1-8,10,20H,9,11H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 327.77 g/mol, XLogP of 3.79, 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-(4-chlorophenyl)acetate is sourced from PubChem (CID 4201325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).