Home Other Building Blocks 3-cyano-N-[(4-methylphenyl)methyl]benzamide

3-cyano-N-[(4-methylphenyl)methyl]benzamide

CAS No.:
851818-22-9
Catalog Number:
AG019U85
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
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Product Description
Catalog Number:
AG019U85
Chemical Name:
3-cyano-N-[(4-methylphenyl)methyl]benzamide
CAS Number:
851818-22-9
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
MDL Number:
MFCD06386854
IUPAC Name:
3-cyano-N-[(4-methylphenyl)methyl]benzamide
InChI:
InChI=1S/C16H14N2O/c1-12-5-7-13(8-6-12)11-18-16(19)15-4-2-3-14(9-15)10-17/h2-9H,11H2,1H3,(H,18,19)
InChI Key:
SYBORSXGOIGTII-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(=O)NCc1ccc(cc1)C
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.111g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
250.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties