IUPAC name
1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea
SMILES
c1ccc(cc1)NC(=O)N(Cc1ccc(cc1)Cl)C1CCCC1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
pencycuron
IUPAC name
1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea
SMILES
c1ccc(cc1)NC(=O)N(Cc1ccc(cc1)Cl)C1CCCC1
INCHI
InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)
FORMULA
C19H21ClN2O
Common name
pencycuron
IUPAC name
1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea
Molecular weight
328.836
clogP
4.181
clogS
-4.559
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
35.83
Number of Rings
3
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00205 | 1-chloro-4-methyl-benzene |
|
Cc1ccc(cc1)Cl | 0.0113 |
| FDBF00869 | phenylurea |
|
O=C(N)Nc1ccccc1 | 0.0021 |
| FDBF01245 | cyclopentane |
|
C1CCCC1 | 0.0034 |
| FDBF03644 | (4-chlorophenyl)methanamine |
|
C(c1ccc(cc1)Cl)N | 0.0007 |
| FDBF06333 | 1-methyl-3-phenylurea |
|
N(C(=O)NC)c1ccccc1 | 0.0007 |
| FDBF07402 | cyclopentanamine |
|
C1(CCCC1)N | 0.0003 |
| FDBF07405 | N-methylcyclopentanamine |
|
C1(CCCC1)NC | 0.0003 |
| FDBF07407 | 1-cyclopentyl-1-methyl-3-phenylurea |
|
C1(CCCC1)N(C(=O)Nc1ccccc1)C | 0.0003 |
12 ,
2
