ethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate

C20H17F6NO3 — CID 14856887

IUPACethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F6NO3/c1-2-30-18(29)12-27(16-8-4-7-15(11-16)20(24,25)26)17(28)10-13-5-3-6-14(9-13)19(21,22)23/h3-9,11H,2,10,12H2,1H3
InChIKeyWPSNMYONDKVYOP-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.86
Rot. Bonds6

About ethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate

ethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate (PubChem CID 14856887) has the molecular formula C20H17F6NO3 and a molecular weight of 433.35 g/mol. Its IUPAC name is ethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate
PubChem CID14856887
Molecular FormulaC20H17F6NO3
Molecular Weight433.35 g/mol
Exact Mass433.11
IUPAC Nameethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F6NO3/c1-2-30-18(29)12-27(16-8-4-7-15(11-16)20(24,25)26)17(28)10-13-5-3-6-14(9-13)19(21,22)23/h3-9,11H,2,10,12H2,1H3
InChIKeyWPSNMYONDKVYOP-UHFFFAOYSA-N
XLogP4.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate?
The IUPAC name of ethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate (CID 14856887) is ethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate.
What is the SMILES notation for ethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate?
The canonical SMILES for ethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate is CCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate?
The InChIKey is WPSNMYONDKVYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F6NO3/c1-2-30-18(29)12-27(16-8-4-7-15(11-16)20(24,25)26)17(28)10-13-5-3-6-14(9-13)19(21,22)23/h3-9,11H,2,10,12H2,1H3.
What are the key properties of ethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate?
ethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate has a molecular weight of 433.35 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino]acetate is sourced from PubChem (CID 14856887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).