Molecule ID: 76965276

IUPAC Name: (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(2,4-dichlorophenoxy)propanamide

Description: The molecule is the stereoisomer of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide obtained by formal condensation of the carboxy group of (R)-2-(2,4-dichlorophenoxy)propanoic acid with the amino group of (R)-2-amino-2,3-dimethylbutanenitrile. It is an enantiomer of a (S,S)-fenoxanil.

SMILES: CC(C)[C@](C)(C#N)N=C(O)[C@@H](C)Oc1ccc(Cl)cc1Cl

SELFIES: [C][C][Branch1][C][C][C@][Branch1][C][C][Branch1][Ring1][C][#N][N][=C][Branch1][C][O][C@@H1][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]

InChI: InChI=1S/C15H18Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,1-4H3,(H,19,20)/t10-,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 62.1 Ų
- LogP: 4.5