IUPAC name
N-(1-butoxy-2,2,2-trichloroethyl)-2-hydroxybenzamide
SMILES
CCCCOC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
trichlamide
IUPAC name
N-(1-butoxy-2,2,2-trichloroethyl)-2-hydroxybenzamide
SMILES
CCCCOC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1O
INCHI
InChI=1S/C13H16Cl3NO3/c1-2-3-8-20-12(13(14,15)16)17-11(19)9-6-4-5-7-10(9)18/h4-7,12,18H,2-3,8H2,1H3,(H,17,19)
FORMULA
C13H16Cl3NO3
Common name
trichlamide
IUPAC name
N-(1-butoxy-2,2,2-trichloroethyl)-2-hydroxybenzamide
Molecular weight
340.630
clogP
3.889
clogS
-3.989
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
62.05
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00416 | butan-1-ol |
|
C(CC)CO | 0.0134 |
| FDBF02724 | 2-hydroxy-N-methyl-benzamide |
|
CNC(=O)c1c(cccc1)O | 0.0010 |
| FDBF03052 | chloroform |
|
ClC(Cl)Cl | 0.0082 |
| FDBF06857 | (E)-N-(2,2,2-trichloroethyl)formimidic acid |
|
N(=CO)/CC(Cl)(Cl)Cl | 0.0010 |
| FDBF07614 | 2-hydroxy-N-(2,2,2-trichloroethyl)benzamide |
|
C(NC(=O)c1c(cccc1)O)C(Cl)(Cl)Cl | 0.0003 |
| FDBF07618 | 2-hydroxy-N-(methoxymethyl)benzamide |
|
COCNC(=O)c1c(cccc1)O | 0.0003 |
13 ,
2
