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

C20H20F3NO3 — CID 19777339

IUPACethyl 2-(3-methyl-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(C)c1
InChIInChI=1S/C20H20F3NO3/c1-3-27-19(26)13-24(17-9-4-6-14(2)10-17)18(25)12-15-7-5-8-16(11-15)20(21,22)23/h4-11H,3,12-13H2,1-2H3
InChIKeyKAQLBAOHJYAHGY-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.15
Rot. Bonds6

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

ethyl 2-(3-methyl-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate (PubChem CID 19777339) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is ethyl 2-(3-methyl-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate
PubChem CID19777339
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Nameethyl 2-(3-methyl-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(C)c1
InChIInChI=1S/C20H20F3NO3/c1-3-27-19(26)13-24(17-9-4-6-14(2)10-17)18(25)12-15-7-5-8-16(11-15)20(21,22)23/h4-11H,3,12-13H2,1-2H3
InChIKeyKAQLBAOHJYAHGY-UHFFFAOYSA-N
XLogP4.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
The IUPAC name of ethyl 2-(3-methyl-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate (CID 19777339) is ethyl 2-(3-methyl-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(3-methyl-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate is CCOC(=O)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(C)c1.
What is the InChIKey of ethyl 2-(3-methyl-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
The InChIKey is KAQLBAOHJYAHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-3-27-19(26)13-24(17-9-4-6-14(2)10-17)18(25)12-15-7-5-8-16(11-15)20(21,22)23/h4-11H,3,12-13H2,1-2H3.
What are the key properties of ethyl 2-(3-methyl-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate?
ethyl 2-(3-methyl-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate has a molecular weight of 379.38 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)acetate is sourced from PubChem (CID 19777339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).