IUPAC name
2-(2-hydroxyethoxy)ethyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate
SMILES
OCCOCCOC(=O)C1=CC=CC=C1NC1=CC=CC(=C1)C(F)(F)F
Compound class
Musculo-Skeletal System; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain;
Therapeutic area
Common name
Etofenamate
IUPAC name
2-(2-hydroxyethoxy)ethyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate
SMILES
OCCOCCOC(=O)C1=CC=CC=C1NC1=CC=CC(=C1)C(F)(F)F
INCHI
InChI=1S/C18H18F3NO4/c19-18(20,21)13-4-3-5-14(12-13)22-16-7-2-1-6-15(16)17(24)26-11-10-25-9-8-23/h1-7,12,22-23H,8-11H2
FORMULA
C18H18F3NO4
Common name
Etofenamate
IUPAC name
2-(2-hydroxyethoxy)ethyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate
Molecular weight
369.335
clogP
3.790
clogS
-5.062
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
67.79
Number of Rings
2
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF00162 | trifluoromethylbenzene |
|
c1ccc(cc1)C(F)(F)F | 0.0172 |
| FDBF01034 | ethyl benzoate |
|
c1(ccccc1)C(=O)OCC | 0.0024 |
| FDBF01560 | methyl benzoate |
|
O(C(=O)c1ccccc1)C | 0.0038 |
| FDBF03016 | methyl 2-aminobenzoate |
|
Nc1c(cccc1)C(=O)OC | 0.0010 |
| FDBF03151 | 3-(trifluoromethyl)aniline |
|
c1(cc(ccc1)C(F)(F)F)N | 0.0014 |
17 ,
2
