IUPAC name
N-(3-chloro-2,6-dimethylphenyl)-2-methoxy-N-(tetrahydro-2-oxo-3-furanyl)acetamide
SMILES
Cc1ccc(c(C)c1N(C1CCOC1=O)C(=O)COC)Cl
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
vangard
IUPAC name
N-(3-chloro-2,6-dimethylphenyl)-2-methoxy-N-(tetrahydro-2-oxo-3-furanyl)acetamide
SMILES
Cc1ccc(c(C)c1N(C1CCOC1=O)C(=O)COC)Cl
INCHI
InChI=1S/C15H18ClNO4/c1-9-4-5-11(16)10(2)14(9)17(13(18)8-20-3)12-6-7-21-15(12)19/h4-5,12H,6-8H2,1-3H3
FORMULA
C15H18ClNO4
Common name
vangard
IUPAC name
N-(3-chloro-2,6-dimethylphenyl)-2-methoxy-N-(tetrahydro-2-oxo-3-furanyl)acetamide
Molecular weight
311.761
clogP
2.993
clogS
-3.794
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
55.84
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00015 | acetamide |
|
NC(=O)C | 0.0460 |
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF02452 | tetrahydrofuran-2-one |
|
O1CCCC1=O | 0.0010 |
| FDBF04234 | 2-methoxyacetamide |
|
C(C(=O)N)OC | 0.0017 |
| FDBF07358 | N-[(3S)-2-oxooxolan-3-yl]formamide |
|
N(C=O)[C@@H]1C(=O)OCC1 | 0.0007 |
| FDBF07646 | N-(3-chloro-2,6-dimethylphenyl)formamide |
|
N(C=O)c1c(C)ccc(c1C)Cl | 0.0003 |
| FDBF07647 | N-(3-chloro-2,6-dimethylphenyl)-N-[(3S)-2-oxooxolan-3-yl]formamide |
|
[C@H]1(C(=O)OCC1)N(C=O)c1c(C)ccc(c1C)Cl | 0.0003 |
| FDBF07649 | N-[(3S)-2-oxooxolan-3-yl]acetamide |
|
CC(=O)N[C@@H]1C(=O)OCC1 | 0.0003 |
| FDBF07650 | N-(3-chloro-2,6-dimethylphenyl)-2-methoxyacetamide |
|
C(C(=O)Nc1c(C)ccc(c1C)Cl)OC | 0.0003 |
11 ,
2
