Common name
N-(3-chloro-4-fluorophenyl)formamide
IUPAC name
N-(3-chloro-4-fluorophenyl)formamide
SMILES
N(C=O)c1cc(c(cc1)F)Cl
Common name
N-(3-chloro-4-fluorophenyl)formamide
IUPAC name
N-(3-chloro-4-fluorophenyl)formamide
SMILES
N(C=O)c1cc(c(cc1)F)Cl
INCHI
InChI=1S/C7H5ClFNO/c8-6-3-5(10-4-11)1-2-7(6)9/h1-4H,(H,10,11)
FORMULA
C7H5ClFNO
Common name
N-(3-chloro-4-fluorophenyl)formamide
IUPAC name
N-(3-chloro-4-fluorophenyl)formamide
Molecular weight
173.572
clogP
2.263
clogS
-2.835
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02404 | flamprop |
|
Herbicide | Herbicide |
| FDBD02405 | flamprop-M |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qe2_ligand_2_4.mol2 | 2qe2 | 0.860465 | -6.65 | N(C)c1ccc(c(c1)Cl)F | 10 |
| 4i9h_ligand_1_0.mol2 | 4i9h | 0.790698 | -6.55 | N(C=O)c1cccc(c1)Cl | 10 |
| 4x5p_ligand_1_3.mol2 | 4x5p | 0.790698 | -6.05 | C(=O)Nc1cc(Cl)ccc1 | 10 |
| 4dhq_ligand_1_4.mol2 | 4dhq | 0.790698 | -5.80 | c1(cc(Cl)ccc1)NC=O | 10 |
| 2viv_ligand_1_1.mol2 | 2viv | 0.790698 | -5.74 | c1cc(Cl)cc(c1)NC=O | 10 |
| 2viw_ligand_1_2.mol2 | 2viw | 0.790698 | -5.72 | c1cc(Cl)cc(c1)NC=O | 10 |
| 4dhs_ligand_1_4.mol2 | 4dhs | 0.755556 | -5.97 | c1(cc(Cl)cc(Cl)c1)NC=O | 11 |
| 4mxc_ligand_1_9.mol2 | 4mxc | 0.744186 | -6.96 | c1(ccc(F)cc1)NC=O | 10 |
| 2fdp_ligand_1_0.mol2 | 2fdp | 0.744186 | -6.74 | C(=O)Nc1ccc(cc1)F | 10 |
100 ,
11
