IUPAC name
3,4-dihydro-5-methyl-2H-1-benzopyran-6-carboxylic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide
SMILES
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(CCCO2)c1C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
chromafenozide
IUPAC name
3,4-dihydro-5-methyl-2H-1-benzopyran-6-carboxylic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide
SMILES
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(CCCO2)c1C
INCHI
InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)
FORMULA
C24H30N2O3
Common name
chromafenozide
IUPAC name
3,4-dihydro-5-methyl-2H-1-benzopyran-6-carboxylic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide
Molecular weight
394.507
clogP
4.851
clogS
-6.312
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
58.64
Number of Rings
3
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00397 | N-tert-butylformamide |
|
O=CNC(C)(C)C | 0.0024 |
| FDBF00502 | m-xylene |
|
c1c(cccc1C)C | 0.0144 |
| FDBF04331 | 3,5-dimethylbenzamide |
|
c1c(cc(cc1C)C(=O)N)C | 0.0014 |
| FDBF04770 | N-formamidoformamide |
|
C(=O)NNC=O | 0.0021 |
| FDBF04771 | 5-methyl-3,4-dihydro-2H-chromene-6-carboxamide |
|
c1(c(c2c(cc1)OCCC2)C)C(=O)N | 0.0003 |
| FDBF04772 | N-[(3,5-dimethylbenzoyl)amino]formamide |
|
C(=O)(NNC=O)c1cc(C)cc(c1)C | 0.0014 |
| FDBF04773 | N-tert-butyl-N-formamidoformamide |
|
C(=O)N(NC=O)C(C)(C)C | 0.0021 |
9 ,
1
