IUPAC name
2-[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]-N-ethylpropanamide
SMILES
CCN=C(C(C)Oc1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)Cl)O
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
etnipromid
IUPAC name
2-[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]-N-ethylpropanamide
SMILES
CCN=C(C(C)Oc1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)Cl)O
INCHI
InChI=1S/C17H16Cl2N2O5/c1-3-20-17(22)10(2)25-16-9-12(5-6-14(16)21(23)24)26-15-7-4-11(18)8-13(15)19/h4-10H,3H2,1-2H3,(H,20,22)
FORMULA
C17H16Cl2N2O5
Common name
etnipromid
IUPAC name
2-[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]-N-ethylpropanamide
Molecular weight
399.225
clogP
3.167
clogS
-5.247
HBond Acceptor
7
HBond Donor
1
Total Polar Surface Area
85.19
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00028 | N-ethylformamide |
|
C(NC=O)C | 0.0065 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00234 | N-ethylpropanamide |
|
C(=O)(NCC)CC | 0.0038 |
| FDBF00779 | nitrobenzene |
|
O=N(=O)c1ccccc1 | 0.0134 |
| FDBF03634 | 2,4-dichlorophenol |
|
Clc1c(ccc(c1)Cl)O | 0.0079 |
| FDBF06098 | (2R)-N-ethyl-2-hydroxypropanamide |
|
CCNC(=O)[C@@H](C)O | 0.0010 |
6 ,
1
