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

C19H18F3NO3 — CID 14856880

IUPACethyl 2-(N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H18F3NO3/c1-2-26-18(25)13-23(16-9-4-3-5-10-16)17(24)12-14-7-6-8-15(11-14)19(20,21)22/h3-11H,2,12-13H2,1H3
InChIKeyMWYKFNPNNJJWNZ-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.84
Rot. Bonds6

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

ethyl 2-(N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate (PubChem CID 14856880) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is ethyl 2-(N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate
PubChem CID14856880
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Nameethyl 2-(N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H18F3NO3/c1-2-26-18(25)13-23(16-9-4-3-5-10-16)17(24)12-14-7-6-8-15(11-14)19(20,21)22/h3-11H,2,12-13H2,1H3
InChIKeyMWYKFNPNNJJWNZ-UHFFFAOYSA-N
XLogP3.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
The IUPAC name of ethyl 2-(N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate (CID 14856880) is ethyl 2-(N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate is CCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of ethyl 2-(N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
The InChIKey is MWYKFNPNNJJWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-2-26-18(25)13-23(16-9-4-3-5-10-16)17(24)12-14-7-6-8-15(11-14)19(20,21)22/h3-11H,2,12-13H2,1H3.
What are the key properties of ethyl 2-(N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
ethyl 2-(N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate has a molecular weight of 365.35 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate is sourced from PubChem (CID 14856880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).