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

C19H17F4NO3 — CID 14856888

IUPACethyl 2-(2-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1F
InChIInChI=1S/C19H17F4NO3/c1-2-27-18(26)12-24(16-9-4-3-8-15(16)20)17(25)11-13-6-5-7-14(10-13)19(21,22)23/h3-10H,2,11-12H2,1H3
InChIKeyBALGBPKLUQSCSZ-UHFFFAOYSA-N
MW383.34 g/mol
LogP3.98
Rot. Bonds6

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

ethyl 2-(2-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate (PubChem CID 14856888) has the molecular formula C19H17F4NO3 and a molecular weight of 383.34 g/mol. Its IUPAC name is ethyl 2-(2-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate
PubChem CID14856888
Molecular FormulaC19H17F4NO3
Molecular Weight383.34 g/mol
Exact Mass383.11
IUPAC Nameethyl 2-(2-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1F
InChIInChI=1S/C19H17F4NO3/c1-2-27-18(26)12-24(16-9-4-3-8-15(16)20)17(25)11-13-6-5-7-14(10-13)19(21,22)23/h3-10H,2,11-12H2,1H3
InChIKeyBALGBPKLUQSCSZ-UHFFFAOYSA-N
XLogP3.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
The IUPAC name of ethyl 2-(2-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate (CID 14856888) is ethyl 2-(2-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(2-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(2-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate is CCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1F.
What is the InChIKey of ethyl 2-(2-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
The InChIKey is BALGBPKLUQSCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4NO3/c1-2-27-18(26)12-24(16-9-4-3-8-15(16)20)17(25)11-13-6-5-7-14(10-13)19(21,22)23/h3-10H,2,11-12H2,1H3.
What are the key properties of ethyl 2-(2-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
ethyl 2-(2-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate has a molecular weight of 383.34 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate is sourced from PubChem (CID 14856888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).