IUPAC name
4-chloro-N-[2-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]ethyl]-α-(2-propyn-1-yloxy)benzeneacetamide
SMILES
C#CCOc1ccc(CCNC(=O)C(c2ccc(cc2)Cl)OCC#C)cc1OC
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
mandipropamid
IUPAC name
4-chloro-N-[2-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]ethyl]-α-(2-propyn-1-yloxy)benzeneacetamide
SMILES
C#CCOc1ccc(CCNC(=O)C(c2ccc(cc2)Cl)OCC#C)cc1OC
INCHI
InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)
FORMULA
C23H22ClNO4
Common name
mandipropamid
IUPAC name
4-chloro-N-[2-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]ethyl]-α-(2-propyn-1-yloxy)benzeneacetamide
Molecular weight
411.878
clogP
5.994
clogS
-5.343
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
60.28
Number of Rings
2
Rotatable Bond
12
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00297 | 1,2-dimethoxybenzene |
|
O(C)c1ccccc1OC | 0.0093 |
| FDBF01147 | N-phenethylacetamide |
|
C(CNC(=O)C)c1ccccc1 | 0.0024 |
| FDBF01727 | 1-chloro-4-(methoxymethyl)benzene |
|
O(C)Cc1ccc(cc1)Cl | 0.0014 |
| FDBF01877 | prop-1-yne |
|
C#CC | 0.0082 |
| FDBF03090 | 2-hydroxy-N-methyl-acetamide |
|
C(O)C(=O)NC | 0.0017 |
| FDBF03582 | 2-methoxy-4-methyl-phenol |
|
O(C)c1cc(ccc1O)C | 0.0014 |
| FDBF07288 | prop-2-ynoxybenzene |
|
c1(ccccc1)OCC#C | 0.0003 |
| FDBF07298 | 1-methyl-4-prop-2-ynoxybenzene |
|
Cc1ccc(cc1)OCC#C | 0.0003 |
35 ,
4
