Common name
2-chloro-N-(phenylcarbamoyl)benzamide
IUPAC name
2-chloro-N-(phenylcarbamoyl)benzamide
SMILES
c1(ccccc1)NC(=O)NC(=O)c1ccccc1Cl
Common name
2-chloro-N-(phenylcarbamoyl)benzamide
IUPAC name
2-chloro-N-(phenylcarbamoyl)benzamide
SMILES
c1(ccccc1)NC(=O)NC(=O)c1ccccc1Cl
INCHI
InChI=1S/C14H11ClN2O2/c15-12-9-5-4-8-11(12)13(18)17-14(19)16-10-6-2-1-3-7-10/h1-9H,(H2,16,17,18,19)
FORMULA
C14H11ClN2O2
Common name
2-chloro-N-(phenylcarbamoyl)benzamide
IUPAC name
2-chloro-N-(phenylcarbamoyl)benzamide
Molecular weight
274.702
clogP
2.337
clogS
-4.168
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
58.2
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01983 | triflumuron |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4pmp_ligand_3_11.mol2 | 4pmp | 0.714286 | -8.48 | C(NC(=O)Nc1ccccc1)c1ccccc1 | 17 |
| 3h0y_ligand_3_19.mol2 | 3h0y | 0.642857 | -7.33 | Nc1ccc(cc1)NC(=O)c1c(Cl)cccc1 | 17 |
| 4oiv_ligand_3_0.mol2 | 4oiv | 0.607143 | -7.48 | C(=O)(NC)c1c(Cl)cc(cc1Cl)N(C)C | 15 |
| 5akw_ligand.mol2 | 5akw | 0.603604 | -9.40 | Clc1ccc(cc1)[C@@H]1NC(=O)c2ccccc2N1 | 19 |
| 5bvk_ligand.mol2 | 5bvk | 0.602041 | -8.49 | c1(ccccc1NC(=O)NCc1cccnc1)Cl | 19 |
| 3h0z_ligand_3_0.mol2 | 3h0z | 0.6 | -7.70 | Nc1ccc(cc1)C(=O)Nc1c(Cl)cccc1 | 17 |
| 5aku_ligand_frag_0.mol2 | 5aku | 0.59375 | -7.63 | N1CNc2c(C1=O)cccc2 | 11 |
| 5akw_ligand_frag_1.mol2 | 5akw | 0.59375 | -7.57 | O=C1NCNc2ccccc12 | 11 |
| 4mvx_ligand.mol2 | 4mvx | 0.585859 | -9.23 | O=C(NCCC[NH2+]Cc1cc(Cl)cc(Cl)c1)Nc1ccccc1 | 24 |
| 4hbw_ligand_frag_2.mol2 | 4hbw | 0.57732 | -6.91 | c1cc2CN(C(=O)Nc2cc1)C | 12 |
100 ,
11
