2-cyano-N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide

Base Information

• Chemical Name: 2-cyano-N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
• CAS No.: 6001-29-2
• Molecular Formula: C16H15FN4O
• DSSTox Substance ID: DTXSID30417309

Synonyms:6001-29-2;STK200513;2-cyano-N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide;DTXSID30417309;AKOS003224209;BIM-0040328.P001;2-cyano-N'-{(E)-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}acetohydrazide

Chemical Property of 2-cyano-N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 298.12298928
• Heavy Atom Count: 22
• Complexity: 464

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=NNC(=O)CC#N
• Isomeric SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=N/NC(=O)CC#N

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