IUPAC name
N-(4-chlorophenyl)-2,2-dimethylpentanamide
SMILES
CCCC(C)(C)C(=O)Nc1ccc(cc1)Cl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
monalide
IUPAC name
N-(4-chlorophenyl)-2,2-dimethylpentanamide
SMILES
CCCC(C)(C)C(=O)Nc1ccc(cc1)Cl
INCHI
InChI=1S/C13H18ClNO/c1-4-9-13(2,3)12(16)15-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16)
FORMULA
C13H18ClNO
Common name
monalide
IUPAC name
N-(4-chlorophenyl)-2,2-dimethylpentanamide
Molecular weight
239.741
clogP
3.523
clogS
-4.435
HBond Acceptor
1
HBond Donor
1
Total Polar Surface Area
29.1
Number of Rings
1
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00124 | 2-methylpentane |
|
C(C)CC(C)C | 0.0052 |
| FDBF00334 | 2-methylpropanamide |
|
CC(C)C(=O)N | 0.0027 |
| FDBF03731 | N-(4-chlorophenyl)formamide |
|
Clc1ccc(cc1)NC=O | 0.0007 |
| FDBF03966 | 2,2-dimethylpropanamide |
|
CC(C)(C)C(=O)N | 0.0010 |
| FDBF06345 | N-(4-chlorophenyl)-2-methylpropanamide |
|
c1(ccc(cc1)Cl)NC(=O)C(C)C | 0.0003 |
| FDBF06347 | N-(4-chlorophenyl)-2,2-dimethylpropanamide |
|
c1(ccc(cc1)Cl)NC(=O)C(C)(C)C | 0.0003 |
11 ,
2
