N-(3-Cyanophenyl)benzamide - CAS 141990-91-2

Catalog:	BB069163
Product Name:	N-(3-Cyanophenyl)benzamide
CAS:	141990-91-2
Synonyms:	N-(3-cyanophenyl)benzamide; Benzamide, N-(3-cyanophenyl)-; N-(m-Cyanophenyl)benzamide

Technical Data

IUPAC Name:	N-(3-cyanophenyl)benzamide
Description:	N-(3-Cyanophenyl)benzamide is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	222.24
Molecular Formula:	C14H10N2O
Canonical SMILES:	C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C#N
InChI:	InChI=1S/C14H10N2O/c15-10-11-5-4-8-13(9-11)16-14(17)12-6-2-1-3-7-12/h1-9H,(H,16,17)
InChI Key:	UCPDMPHZMMJOJJ-UHFFFAOYSA-N
References:	Chen, Z., et al. Org. Biomol. Chem., 16, 8481 (2018); Yang, J., et al. Gaodeng Xuexiao Huaxue Xuebao, 28, 1503 (2007); Bollenbach, M., et al. Chem Eur. J., 23, 13676 (2017).

Complexity:	311
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.079312947
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.079312947
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3