ethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate

C19H16F5NO3 — CID 14856891

IUPACethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F
InChIInChI=1S/C19H16F5NO3/c1-2-28-18(27)11-25(16-7-6-14(20)10-15(16)21)17(26)9-12-4-3-5-13(8-12)19(22,23)24/h3-8,10H,2,9,11H2,1H3
InChIKeyLCSKDIZXFAUKMH-UHFFFAOYSA-N
MW401.33 g/mol
LogP4.12
Rot. Bonds6

About ethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate

ethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate (PubChem CID 14856891) has the molecular formula C19H16F5NO3 and a molecular weight of 401.33 g/mol. Its IUPAC name is ethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate
PubChem CID14856891
Molecular FormulaC19H16F5NO3
Molecular Weight401.33 g/mol
Exact Mass401.11
IUPAC Nameethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F
InChIInChI=1S/C19H16F5NO3/c1-2-28-18(27)11-25(16-7-6-14(20)10-15(16)21)17(26)9-12-4-3-5-13(8-12)19(22,23)24/h3-8,10H,2,9,11H2,1H3
InChIKeyLCSKDIZXFAUKMH-UHFFFAOYSA-N
XLogP4.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
The IUPAC name of ethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate (CID 14856891) is ethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate is CCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F.
What is the InChIKey of ethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
The InChIKey is LCSKDIZXFAUKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F5NO3/c1-2-28-18(27)11-25(16-7-6-14(20)10-15(16)21)17(26)9-12-4-3-5-13(8-12)19(22,23)24/h3-8,10H,2,9,11H2,1H3.
What are the key properties of ethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
ethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate has a molecular weight of 401.33 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-difluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate is sourced from PubChem (CID 14856891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).