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 |
|---|---|---|---|---|
| FDBF00024 | N-methylformamide |
|
N(C=O)C | 0.0106 |
| FDBF05974 | (1Z)-N-[(1S)-2,2,2-trichloro-1-hydroxyethyl]methanimidic acid |
|
C(Cl)(Cl)(Cl)[C@H](O)NC=O | 0.0007 |
| FDBF07617 | (1Z)-N-[(1S)-2,2,2-trichloro-1-methoxyethyl]methanimidic acid |
|
CO[C@H](NC=O)C(Cl)(Cl)Cl | 0.0003 |
13 ,
2
