2-chloranyl-3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide; 3-oxidanylidene-N-pyridin-2-yl-propanamide

Systemtic Name: 2-chloranyl-3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide; 3-oxidanylidene-N-pyridin-2-yl-propanamide Openeye Name: 2-chloro-3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide; 3-oxo-N-(2-pyridyl)propanamide CAS Name: 2-chloro-3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide; 3-oxo-N-(2-pyridinyl)propanamide IUPAC Name: 2-chloro-3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide; 3-oxo-N-pyridin-2-ylpropanamide Traditional Name: 2-chloro-3-methyl-N-[2-(trifluoromethyl)phenyl]butyramide; 3-keto-N-(2-pyridyl)propionamide Formula: C20H21ClF3N3O3 MolecularWeight: 443.84725

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC=C1C(F)(F)F)Cl.C1=CC=NC(=C1)NC(=O)CC=O

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC=C1C(F)(F)F)Cl.C1=CC=NC(=C1)NC(=O)CC=O

InChI

InChI=1S/C12H13ClF3NO.C8H8N2O2/c1-7(2)10(13)11(18)17-9-6-4-3-5-8(9)12(14,15)16;11-6-4-8(12)10-7-3-1-2-5-9-7/h3-7,10H,1-2H3,(H,17,18);1-3,5-6H,4H2,(H,9,10,12)