IUPAC name
N-benzoyl-N-(3-chloro-4-fluorophenyl)-D-alanine
SMILES
C[C@H](C(=O)O)N(c1ccc(c(c1)Cl)F)C(=O)c1ccccc1
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
flamprop-M
IUPAC name
N-benzoyl-N-(3-chloro-4-fluorophenyl)-D-alanine
SMILES
C[C@H](C(=O)O)N(c1ccc(c(c1)Cl)F)C(=O)c1ccccc1
INCHI
InChI=1S/C16H13ClFNO3/c1-10(16(21)22)19(12-7-8-14(18)13(17)9-12)15(20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)/t10-/m1/s1
FORMULA
C16H13ClFNO3
Common name
flamprop-M
IUPAC name
N-benzoyl-N-(3-chloro-4-fluorophenyl)-D-alanine
Molecular weight
321.731
clogP
3.079
clogS
-3.672
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
57.61
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF00048 | benzamide |
|
O=C(N)c1ccccc1 | 0.0117 |
| FDBF00719 | 1-chloro-2-fluoro-benzene |
|
Clc1ccccc1F | 0.0021 |
| FDBF06117 | N-(3-chloro-4-fluorophenyl)formamide |
|
N(C=O)c1cc(c(cc1)F)Cl | 0.0007 |
6 ,
1
