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 |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00024 | N-methylformamide |
|
N(C=O)C | 0.0106 |
| FDBF00028 | N-ethylformamide |
|
C(NC=O)C | 0.0065 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF01132 | ethylcarbamic acid |
|
O=C(O)NCC | 0.0034 |
| FDBF03967 | N-isobutylformamide |
|
O=CNCC(C)C | 0.0017 |
| FDBF07594 | 2-methylpropylcarbamic acid |
|
C(NC(=O)O)C(C)C | 0.0003 |
| FDBF07597 | 2,2,2-trifluoroethyl N-methylcarbamate |
|
CNC(=O)OCC(F)(F)F | 0.0003 |
| FDBF07598 | methyl N-[(2R)-3-methylbutan-2-yl]carbamate |
|
[C@H](NC(=O)OC)(C(C)C)C | 0.0003 |
21 ,
3
