IUPAC name
2-chloro-N-(2,6-dimethylphenyl)-N-(tetrahydro-2-oxo-3-furanyl)acetamide
SMILES
Cc1cccc(C)c1N(C1CCOC1=O)C(=O)CCl
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
ofurace
IUPAC name
2-chloro-N-(2,6-dimethylphenyl)-N-(tetrahydro-2-oxo-3-furanyl)acetamide
SMILES
Cc1cccc(C)c1N(C1CCOC1=O)C(=O)CCl
INCHI
InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3
FORMULA
C14H16ClNO3
Common name
ofurace
IUPAC name
2-chloro-N-(2,6-dimethylphenyl)-N-(tetrahydro-2-oxo-3-furanyl)acetamide
Molecular weight
281.735
clogP
2.934
clogS
-3.528
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
46.61
Number of Rings
2
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00495 | N-(2,6-dimethylphenyl)formamide |
|
O=CNc1c(cccc1C)C | 0.0065 |
| FDBF00502 | m-xylene |
|
c1c(cccc1C)C | 0.0144 |
| FDBF02452 | tetrahydrofuran-2-one |
|
O1CCCC1=O | 0.0010 |
| FDBF05847 | 2-chloroacetamide |
|
NC(=O)CCl | 0.0082 |
| FDBF05962 | 2-chloro-N-(2,6-dimethylphenyl)acetamide |
|
c1(c(cccc1C)C)NC(=O)CCl | 0.0017 |
| FDBF07358 | N-[(3S)-2-oxooxolan-3-yl]formamide |
|
N(C=O)[C@@H]1C(=O)OCC1 | 0.0007 |
| FDBF07360 | N-(2,6-dimethylphenyl)-N-[(3S)-2-oxooxolan-3-yl]formamide |
|
N(C=O)(c1c(C)cccc1C)[C@@H]1C(=O)OCC1 | 0.0003 |
| FDBF07362 | 2-chloro-N-[(3S)-2-oxooxolan-3-yl]acetamide |
|
N(C(=O)CCl)[C@@H]1C(=O)OCC1 | 0.0003 |
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