IUPAC name
N-(1-cyano-1,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)propanamide
SMILES
CC(C)C(C)(C#N)NC(=O)C(C)Oc1ccc(cc1Cl)Cl
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
fenoxanil
IUPAC name
N-(1-cyano-1,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)propanamide
SMILES
CC(C)C(C)(C#N)NC(=O)C(C)Oc1ccc(cc1Cl)Cl
INCHI
InChI=1S/C15H18Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,1-4H3,(H,19,20)
FORMULA
C15H18Cl2N2O2
Common name
fenoxanil
IUPAC name
N-(1-cyano-1,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)propanamide
Molecular weight
329.222
clogP
4.235
clogS
-4.189
HBond Acceptor
4
HBond Donor
1
Total Polar Surface Area
65.61
Number of Rings
1
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF03634 | 2,4-dichlorophenol |
|
Clc1c(ccc(c1)Cl)O | 0.0079 |
| FDBF07100 | (1Z)-N-[(2S)-2-cyano-3-methylbutan-2-yl]methanimidic acid |
|
CC(C)[C@@](C)(C#N)NC=O | 0.0003 |
| FDBF07101 | N-[(1R)-1-cyanoethyl]propanamide |
|
C(C)C(=O)N[C@H](C)C#N | 0.0003 |
| FDBF07102 | (1Z)-N-[(1R)-1-cyanoethyl]methanimidic acid |
|
[C@@H](C)(C#N)NC=O | 0.0003 |
6 ,
1
