ethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate

C20H20F3NO3 — CID 23453110

IUPACethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(CCNC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H20F3NO3/c1-2-27-18(25)12-15-8-6-14(7-9-15)10-11-24-19(26)16-4-3-5-17(13-16)20(21,22)23/h3-9,13H,2,10-12H2,1H3,(H,24,26)
InChIKeyMGXHDLIDFBQPFF-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.78
Rot. Bonds7

About ethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate

ethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate (PubChem CID 23453110) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is ethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate
PubChem CID23453110
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Nameethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(CCNC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H20F3NO3/c1-2-27-18(25)12-15-8-6-14(7-9-15)10-11-24-19(26)16-4-3-5-17(13-16)20(21,22)23/h3-9,13H,2,10-12H2,1H3,(H,24,26)
InChIKeyMGXHDLIDFBQPFF-UHFFFAOYSA-N
XLogP3.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate (CID 23453110) is ethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate is CCOC(=O)Cc1ccc(CCNC(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of ethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate?
The InChIKey is MGXHDLIDFBQPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-2-27-18(25)12-15-8-6-14(7-9-15)10-11-24-19(26)16-4-3-5-17(13-16)20(21,22)23/h3-9,13H,2,10-12H2,1H3,(H,24,26).
What are the key properties of ethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate?
ethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate has a molecular weight of 379.38 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]acetate is sourced from PubChem (CID 23453110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).