IUPAC name
methyl N-[[2-chloro-5-[(1E)-1-[[(6-methyl-2-pyridinyl)methoxy]imino]ethyl]phenyl]methyl]carbamate
SMILES
Cc1cccc(CO/N=C(C)/c2ccc(c(c2)CNC(=O)OC)Cl)n1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
pyribencarb
IUPAC name
methyl N-[[2-chloro-5-[(1E)-1-[[(6-methyl-2-pyridinyl)methoxy]imino]ethyl]phenyl]methyl]carbamate
SMILES
Cc1cccc(CO/N=C(C)/c2ccc(c(c2)CNC(=O)OC)Cl)n1
INCHI
InChI=1S/C18H20ClN3O3/c1-12-5-4-6-16(21-12)11-25-22-13(2)14-7-8-17(19)15(9-14)10-20-18(23)24-3/h4-9H,10-11H2,1-3H3,(H,20,23)/b22-13+
FORMULA
C18H20ClN3O3
Common name
pyribencarb
IUPAC name
methyl N-[[2-chloro-5-[(1E)-1-[[(6-methyl-2-pyridinyl)methoxy]imino]ethyl]phenyl]methyl]carbamate
Molecular weight
361.823
clogP
4.634
clogS
-5.266
HBond Acceptor
6
HBond Donor
1
Total Polar Surface Area
76.3
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00024 | N-methylformamide |
|
N(C=O)C | 0.0106 |
| FDBF00361 | 2-methylpyridine |
|
n1c(cccc1)C | 0.0058 |
| FDBF01131 | methyl N-methylcarbamate |
|
O(C(=O)NC)C | 0.0048 |
| FDBF05527 | (NZ)-N-ethylidenehydroxylamine |
|
C/C=N\O | 0.0010 |
| FDBF05532 | N-methoxyethanimine |
|
C/C=N\OC | 0.0014 |
| FDBF07513 | (NE)-N-[1-(4-chlorophenyl)ethylidene]hydroxylamine |
|
c1(ccc(cc1)Cl)/C(=N/O)/C | 0.0003 |
| FDBF07516 | 1-(4-chlorophenyl)-N-methoxyethanimine |
|
c1(ccc(cc1)Cl)/C(=N/OC)/C | 0.0003 |
| FDBF07517 | methyl N-[(2-chlorophenyl)methyl]carbamate |
|
c1cc(c(cc1)Cl)CNC(=O)OC | 0.0003 |
13 ,
2
