IUPAC name
2-bromo-3,3-dimethyl-N-(1-methyl-1-phenylethyl)butanamide
SMILES
CC(C)(C)C(C(=O)NC(C)(C)c1ccccc1)Br
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
bromobutide
IUPAC name
2-bromo-3,3-dimethyl-N-(1-methyl-1-phenylethyl)butanamide
SMILES
CC(C)(C)C(C(=O)NC(C)(C)c1ccccc1)Br
INCHI
InChI=1S/C15H22BrNO/c1-14(2,3)12(16)13(18)17-15(4,5)11-9-7-6-8-10-11/h6-10,12H,1-5H3,(H,17,18)
FORMULA
C15H22BrNO
Common name
bromobutide
IUPAC name
2-bromo-3,3-dimethyl-N-(1-methyl-1-phenylethyl)butanamide
Molecular weight
312.245
clogP
4.209
clogS
-4.076
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
32.59
Number of Rings
1
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF02142 | cumene |
|
C(c1ccccc1)(C)C | 0.0045 |
| FDBF05789 | (2S)-2-bromo-3,3-dimethylbutanamide |
|
CC(C)(C)[C@H](Br)C(=O)N | 0.0003 |
| FDBF05790 | 2-bromo-N-propan-2-ylacetamide |
|
C(Br)C(=O)NC(C)C | 0.0003 |
| FDBF05792 | (2S)-2-bromo-3,3-dimethyl-N-propan-2-ylbutanamide |
|
CC(C)(C)[C@H](Br)C(=O)NC(C)C | 0.0003 |
| FDBF05793 | 2-bromo-N-(2-phenylpropan-2-yl)acetamide |
|
C(Br)C(=O)NC(C)(C)c1ccccc1 | 0.0003 |
| FDBF05794 | 2-bromoacetamide |
|
C(Br)C(=O)N | 0.0003 |
| FDBF06329 | (1Z)-N-(2-phenylpropan-2-yl)methanimidic acid |
|
c1(ccccc1)C(C)(C)NC=O | 0.0014 |
10 ,
2
