IUPAC name
2,2,2-trifluoroethyl N-[(1S)-2-methyl-1-[[(4-methylbenzoyl)amino]methyl]propyl]carbamate
SMILES
CC(C)[C@@H](CNC(=O)c1ccc(C)cc1)NC(=O)OCC(F)(F)F
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
tolprocarb
IUPAC name
2,2,2-trifluoroethyl N-[(1S)-2-methyl-1-[[(4-methylbenzoyl)amino]methyl]propyl]carbamate
SMILES
CC(C)[C@@H](CNC(=O)c1ccc(C)cc1)NC(=O)OCC(F)(F)F
INCHI
InChI=1S/C16H21F3N2O3/c1-10(2)13(21-15(23)24-9-16(17,18)19)8-20-14(22)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,20,22)(H,21,23)/t13-/m1/s1
FORMULA
C16H21F3N2O3
Common name
tolprocarb
IUPAC name
2,2,2-trifluoroethyl N-[(1S)-2-methyl-1-[[(4-methylbenzoyl)amino]methyl]propyl]carbamate
Molecular weight
346.345
clogP
3.673
clogS
-3.969
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
70.92
Number of Rings
1
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00974 | 1,1,1-trifluoroethane |
|
CC(F)(F)F | 0.0072 |
| FDBF00976 | 2,2,2-trifluoroethanol |
|
C(O)C(F)(F)F | 0.0034 |
| FDBF01127 | methylcarbamic acid |
|
O=C(O)NC | 0.0199 |
| FDBF01131 | methyl N-methylcarbamate |
|
O(C(=O)NC)C | 0.0048 |
| FDBF01140 | methyl N-ethylcarbamate |
|
O(C(=O)NCC)C | 0.0017 |
| FDBF01420 | 4-methylbenzamide |
|
O=C(N)c1ccc(cc1)C | 0.0027 |
| FDBF03989 | methyl N-isobutylcarbamate |
|
CC(C)CNC(=O)OC | 0.0017 |
| FDBF07593 | N,4-dimethylbenzamide |
|
N(C(=O)c1ccc(cc1)C)C | 0.0003 |
| FDBF07596 | [(2R)-3-methylbutan-2-yl]carbamic acid |
|
[C@H](NC(=O)O)(C(C)C)C | 0.0003 |
21 ,
3
