[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate

C19H15F3N2O3 — CID 4801773

IUPAC[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)14-6-2-4-8-16(14)24-17(25)11-27-18(26)9-12-10-23-15-7-3-1-5-13(12)15/h1-8,10,23H,9,11H2,(H,24,25)
InChIKeyODLOWSBWAPCECX-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.91
Rot. Bonds5

About [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 4801773) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate
PubChem CID4801773
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)14-6-2-4-8-16(14)24-17(25)11-27-18(26)9-12-10-23-15-7-3-1-5-13(12)15/h1-8,10,23H,9,11H2,(H,24,25)
InChIKeyODLOWSBWAPCECX-UHFFFAOYSA-N
XLogP3.91
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate (CID 4801773) is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate is O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccccc1C(F)(F)F.
What is the InChIKey of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is ODLOWSBWAPCECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c20-19(21,22)14-6-2-4-8-16(14)24-17(25)11-27-18(26)9-12-10-23-15-7-3-1-5-13(12)15/h1-8,10,23H,9,11H2,(H,24,25).
What are the key properties of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate?
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 376.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 4801773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).