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 |
|---|---|---|---|---|
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00805 | 2-methoxyethanol |
|
C(OC)CO | 0.0072 |
| FDBF01299 | 2-hydroxyethyl formate |
|
OCCOC=O | 0.0017 |
| FDBF03019 | ethyl 2-aminobenzoate |
|
Nc1c(cccc1)C(=O)OCC | 0.0007 |
| FDBF03900 | N-phenylaniline |
|
c1(ccccc1)Nc2ccccc2 | 0.0003 |
17 ,
2
