3-(2-Cyanophenyl)-N,N-dimethylbenzamide - CAS 1365271-34-6

Catalog:	BB068890
Product Name:	3-(2-Cyanophenyl)-N,N-dimethylbenzamide
CAS:	1365271-34-6
Synonyms:	2'-Cyano-N,N-dimethyl[1,1'-biphenyl]-3-carboxamide

Technical Data

Computed Properties

IUPAC Name:	3-(2-cyanophenyl)-N,N-dimethylbenzamide
Description:	3-(2-Cyanophenyl)-N,N-dimethylbenzamide is used in the preparation of amines via boronic acid-catalyzed reduction of amides with phenylsilane.
Molecular Weight:	250.3
Molecular Formula:	C16H14N2O
Canonical SMILES:	CN(C)C(=O)C1=CC=CC(=C1)C2=CC=CC=C2C#N
InChI:	InChI=1S/C16H14N2O/c1-18(2)16(19)13-8-5-7-12(10-13)15-9-4-3-6-14(15)11-17/h3-10H,1-2H3
InChI Key:	MKXJVNLPVPGUEI-UHFFFAOYSA-N
References:	Li, Yuehui., et al. Angew. Chem. Int. Ed., 52, 11577-11580 (2013).

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Complexity:	368
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.110613074
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.110613074
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7