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

C20H18ClNO4 — CID 7762712

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H18ClNO4/c1-20(2,26-14-9-7-13(21)8-10-14)19(24)25-12-18(23)16-11-22-17-6-4-3-5-15(16)17/h3-11,22H,12H2,1-2H3
InChIKeyPCUDEHNTBKZLBX-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.40
Rot. Bonds6

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

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate (PubChem CID 7762712) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
PubChem CID7762712
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H18ClNO4/c1-20(2,26-14-9-7-13(21)8-10-14)19(24)25-12-18(23)16-11-22-17-6-4-3-5-15(16)17/h3-11,22H,12H2,1-2H3
InChIKeyPCUDEHNTBKZLBX-UHFFFAOYSA-N
XLogP4.40
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate with MolForge

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Related Compounds

phenacyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 782046
[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 6179575
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
[2-(1H-indol-3-yl)-2-oxoethyl] 3-methylbut-2-enoate
CID 5137843
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2453233
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
[2-(1H-indol-3-yl)-2-oxoethyl] 2,6-difluorobenzoate
CID 2689663
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 9200072
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3496931
[2-(1H-indol-3-yl)-2-oxoethyl] 2-iodobenzoate
CID 2689629
5-(1H-indol-3-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 55156722

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate (CID 7762712) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate is CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The InChIKey is PCUDEHNTBKZLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-20(2,26-14-9-7-13(21)8-10-14)19(24)25-12-18(23)16-11-22-17-6-4-3-5-15(16)17/h3-11,22H,12H2,1-2H3.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate has a molecular weight of 371.82 g/mol, XLogP of 4.40, 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-(4-chlorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 7762712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).