Common name
N-ethyl-N-phenylformamide
IUPAC name
N-ethyl-N-phenylformamide
SMILES
CCN(c1ccccc1)C=O
Common name
N-ethyl-N-phenylformamide
IUPAC name
N-ethyl-N-phenylformamide
SMILES
CCN(c1ccccc1)C=O
INCHI
InChI=1S/C9H11NO/c1-2-10(8-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
FORMULA
C9H11NO
Common name
N-ethyl-N-phenylformamide
IUPAC name
N-ethyl-N-phenylformamide
Molecular weight
149.190
clogP
1.417
clogS
-1.698
Frequency
0.0007
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
20.31
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02418 | pretilachlor |
|
Herbicide | Herbicide |
| FDBD02421 | prynachlor |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gar_ligand_3_524.mol2 | 1gar | 1 | -6.45 | C(N(C=O)c1ccccc1)C | 11 |
| 1gar_ligand_4_2520.mol2 | 1gar | 0.935484 | -6.70 | CC(=O)N(CC)c1ccccc1 | 12 |
| 3b68_ligand_1_0.mol2 | 3b68 | 0.933333 | -7.48 | c1(ccccc1)NC(=O)C | 10 |
| 3chs_ligand_2_2.mol2 | 3chs | 0.933333 | -7.46 | CC(=O)Nc1ccccc1 | 10 |
| 3chr_ligand_2_11.mol2 | 3chr | 0.933333 | -7.40 | CC(=O)Nc1ccccc1 | 10 |
| 3chq_ligand_2_15.mol2 | 3chq | 0.933333 | -7.36 | CC(=O)Nc1ccccc1 | 10 |
| 3n86_ligand_2_4.mol2 | 3n86 | 0.933333 | -7.31 | CC(=O)Nc1ccccc1 | 10 |
| 4msk_ligand_2_9.mol2 | 4msk | 0.933333 | -7.22 | c1(ccccc1)NC(=O)C | 10 |
| 5avi_ligand_1_2.mol2 | 5avi | 0.933333 | -7.22 | c1ccccc1N(C(=O)C)C | 11 |
107 ,
11
