IUPAC name
N-butyl-N′-(3,4-dichlorophenyl)-N-methylurea
SMILES
CCCCN(C)C(=O)Nc1ccc(c(c1)Cl)Cl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
neburon
IUPAC name
N-butyl-N′-(3,4-dichlorophenyl)-N-methylurea
SMILES
CCCCN(C)C(=O)Nc1ccc(c(c1)Cl)Cl
INCHI
InChI=1S/C12H16Cl2N2O/c1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
FORMULA
C12H16Cl2N2O
Common name
neburon
IUPAC name
N-butyl-N′-(3,4-dichlorophenyl)-N-methylurea
Molecular weight
275.174
clogP
3.398
clogS
-4.018
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
35.83
Number of Rings
1
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00119 | methylurea |
|
O=C(NC)N | 0.0065 |
| FDBF01126 | 1,1-dimethylurea |
|
O=C(N)N(C)C | 0.0062 |
| FDBF03884 | N-(3-chlorophenyl)formamide |
|
O=CNc1cc(ccc1)Cl | 0.0052 |
| FDBF05821 | 1-ethyl-1-methylurea |
|
C(C)N(C(=O)N)C | 0.0007 |
| FDBF06289 | 1-BLAH-N-(3,4-dichlorophenyl)formamide |
|
c1(cc(c(cc1)Cl)Cl)NC(=O)[NH+]C | 0.0007 |
| FDBF06356 | 3-(3,4-dichlorophenyl)-1,1-dimethylurea |
|
c1(cc(c(cc1)Cl)Cl)NC(=O)N(C)C | 0.0003 |
| FDBF06357 | 3-(3,4-dichlorophenyl)-1-ethyl-1-methylurea |
|
c1(cc(c(cc1)Cl)Cl)NC(=O)N(C)CC | 0.0003 |
9 ,
1
