IUPAC name
2-(2,4-dichloro-3-methylphenoxy)-N-phenylpropanamide
SMILES
Cc1c(ccc(c1Cl)OC(C)C(=O)Nc1ccccc1)Cl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
clomeprop
IUPAC name
2-(2,4-dichloro-3-methylphenoxy)-N-phenylpropanamide
SMILES
Cc1c(ccc(c1Cl)OC(C)C(=O)Nc1ccccc1)Cl
INCHI
InChI=1S/C16H15Cl2NO2/c1-10-13(17)8-9-14(15(10)18)21-11(2)16(20)19-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,19,20)
FORMULA
C16H15Cl2NO2
Common name
clomeprop
IUPAC name
2-(2,4-dichloro-3-methylphenoxy)-N-phenylpropanamide
Molecular weight
324.202
clogP
4.951
clogS
-5.145
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
41.82
Number of Rings
2
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00026 | propanamide |
|
CCC(=O)N | 0.0148 |
| FDBF01648 | N-phenylpropanamide |
|
c1(ccccc1)NC(=O)CC | 0.0024 |
| FDBF05913 | (2S)-2-(2,4-dichloro-3-methylphenoxy)propanamide |
|
O(c1c(c(C)c(cc1)Cl)Cl)[C@@H](C)C(=O)N | 0.0003 |
| FDBF05914 | (2S)-2-hydroxy-N-phenylpropanamide |
|
O[C@@H](C)C(=O)Nc1ccccc1 | 0.0007 |
5 ,
1
