IUPAC name
N-[2,2,2-trichloro-1-[(3,4-dichlorophenyl)amino]ethyl]formamide
SMILES
c1cc(c(cc1NC(C(Cl)(Cl)Cl)NC=O)Cl)Cl
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
chloraniformethan
IUPAC name
N-[2,2,2-trichloro-1-[(3,4-dichlorophenyl)amino]ethyl]formamide
SMILES
c1cc(c(cc1NC(C(Cl)(Cl)Cl)NC=O)Cl)Cl
INCHI
InChI=1S/C9H7Cl5N2O/c10-6-2-1-5(3-7(6)11)16-8(15-4-17)9(12,13)14/h1-4,8,16H,(H,15,17)
FORMULA
C9H7Cl5N2O
Common name
chloraniformethan
IUPAC name
N-[2,2,2-trichloro-1-[(3,4-dichlorophenyl)amino]ethyl]formamide
Molecular weight
336.430
clogP
4.011
clogS
-4.660
HBond Acceptor
2
HBond Donor
2
Total Polar Surface Area
44.62
Number of Rings
1
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00024 | N-methylformamide |
|
N(C=O)C | 0.0106 |
| FDBF03052 | chloroform |
|
ClC(Cl)Cl | 0.0082 |
| FDBF04838 | 1,1,1-trichloroethane |
|
CC(Cl)(Cl)Cl | 0.0034 |
| FDBF06851 | 3,4-dichloroaniline |
|
c1c(cc(c(c1)Cl)Cl)N | 0.0003 |
| FDBF06854 | 3,4-dichloro-N-methylaniline |
|
CNc1ccc(c(c1)Cl)Cl | 0.0003 |
| FDBF06855 | 2,2,2-trichloroethan-1-amine |
|
ClC(Cl)(Cl)CN | 0.0003 |
| FDBF06857 | (E)-N-(2,2,2-trichloroethyl)formimidic acid |
|
N(=CO)/CC(Cl)(Cl)Cl | 0.0010 |
| FDBF06858 | (E)-N-(((3,4-dichlorophenyl)amino)methyl)formimidic acid |
|
N(=CO)/CNc1ccc(c(c1)Cl)Cl | 0.0003 |
11 ,
2
