IUPAC name
N-[(2-chlorophenyl)methyl]-N′-(2-phenylpropan-2-yl)urea
SMILES
CC(C)(c1ccccc1)NC(=O)NCc1ccccc1Cl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
cumyluron
IUPAC name
N-[(2-chlorophenyl)methyl]-N′-(2-phenylpropan-2-yl)urea
SMILES
CC(C)(c1ccccc1)NC(=O)NCc1ccccc1Cl
INCHI
InChI=1S/C17H19ClN2O/c1-17(2,14-9-4-3-5-10-14)20-16(21)19-12-13-8-6-7-11-15(13)18/h3-11H,12H2,1-2H3,(H2,19,20,21)
FORMULA
C17H19ClN2O
Common name
cumyluron
IUPAC name
N-[(2-chlorophenyl)methyl]-N′-(2-phenylpropan-2-yl)urea
Molecular weight
302.799
clogP
4.088
clogS
-4.954
HBond Acceptor
2
HBond Donor
2
Total Polar Surface Area
44.62
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00119 | methylurea |
|
O=C(NC)N | 0.0065 |
| FDBF00302 | 1-chloro-2-methyl-benzene |
|
Clc1c(cccc1)C | 0.0062 |
| FDBF02142 | cumene |
|
C(c1ccccc1)(C)C | 0.0045 |
| FDBF05928 | propan-2-ylurea |
|
N(C(=O)N)C(C)C | 0.0010 |
| FDBF05929 | 2-phenylpropan-2-ylurea |
|
N(C(=O)N)C(C)(C)c1ccccc1 | 0.0007 |
| FDBF05930 | 1-methyl-3-propan-2-ylurea |
|
N(C(=O)NC)C(C)C | 0.0007 |
| FDBF05931 | (2-chlorophenyl)methylurea |
|
NC(=O)NCc1c(cccc1)Cl | 0.0003 |
| FDBF05932 | 1-methyl-3-(2-phenylpropan-2-yl)urea |
|
N(C(=O)NC)C(C)(C)c1ccccc1 | 0.0007 |
14 ,
2
