512181-82-7
4-CYANO-N-[(4-FLUOROPHENYL)METHYL]BENZAMIDE
Name4-CYANO-N-[(4-FLUOROPHENYL)METHYL]BENZAMIDE
1Identification
【Name】
4-CYANO-N-[(4-FLUOROPHENYL)METHYL]BENZAMIDE
【CAS】
【MDL】
MFCD06336918
【English Synonyms】
【Formula】
C15 H11 F N2 O
【MolWeight】
254.263
【Inchi】
InChI=1S/C15H11FN2O/c16-14-7-3-12(4-8-14)10-18-15(19)13-5-1-11(9-17)2-6-13/h1-8H,10H2,(H,18,19)
【InChIKey】
InChIKey=NYFFIXPNCVQTME-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1CNC(=O)c2ccc(cc2)C#N)F
【MOL File】
4-CYANO-N-[(4-FLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CYANO-N-[(4-FLUOROPHENYL)METHYL]BENZAMIDE.cml