IUPAC name
4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]morpholine
SMILES
COc1ccc(cc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
dimethomorph
IUPAC name
4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]morpholine
SMILES
COc1ccc(cc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl
INCHI
InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3
FORMULA
C21H22ClNO4
Common name
dimethomorph
IUPAC name
4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]morpholine
Molecular weight
387.857
clogP
4.366
clogS
-4.883
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
48
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00297 | 1,2-dimethoxybenzene |
|
O(C)c1ccccc1OC | 0.0093 |
| FDBF06991 | (E)-1-morpholino-3-phenylprop-2-en-1-one |
|
c1ccc(cc1)/C=C/C(=O)N1CCOCC1 | 0.0007 |
| FDBF06992 | (Z)-3-(4-chlorophenyl)-1-morpholinoprop-2-en-1-one |
|
c1(ccc(cc1)Cl)/C=CC(=O)N1CCOCC1 | 0.0003 |
| FDBF06994 | 1-morpholinoprop-2-en-1-one |
|
C=CC(=O)N1CCOCC1 | 0.0007 |
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