2-chloranyl-4-fluoranyl-N-(2-pyridin-4-ylpropan-2-yl)benzamide hydrate

Systemtic Name: 2-chloranyl-4-fluoranyl-N-(2-pyridin-4-ylpropan-2-yl)benzamide hydrate Openeye Name: 2-chloro-4-fluoro-N-[1-methyl-1-(4-pyridyl)ethyl]benzamide hydrate CAS Name: 2-chloro-4-fluoro-N-(2-pyridin-4-ylpropan-2-yl)benzamide hydrate IUPAC Name: 2-chloro-4-fluoro-N-(2-pyridin-4-ylpropan-2-yl)benzamide hydrate Traditional Name: 2-chloro-4-fluoro-N-[1-methyl-1-(4-pyridyl)ethyl]benzamide hydrate Formula: C15H16ClFN2O2 MolecularWeight: 310.751143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=NC=C1)NC(=O)C2=C(C=C(C=C2)F)Cl.O

Isomeric SMILES

CC(C)(C1=CC=NC=C1)NC(=O)C2=C(C=C(C=C2)F)Cl.O

InChI

InChI=1S/C15H14ClFN2O.H2O/c1-15(2,10-5-7-18-8-6-10)19-14(20)12-4-3-11(17)9-13(12)16;/h3-9H,1-2H3,(H,19,20);1H2