N- (2-cyanophenyl) benzamide

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CAS Number

40288-69-5

MDL Number

MFCD00451472

Smiles

C1ccc (c (c1) NC (=O) c1ccccc1) C#N

Chemical Information

N-(2-Cyanophenyl)benzamide

CAS Number	40288-69-5
PubChem CID	359334
IUPAC Name	N-(2-cyanophenyl)benzamide
Molecular Formula	C14H10N2O
Molecular Weight	222.24
XLogP	2.2
Topological Polar Surface Area	52.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	311

SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C14H10N2O/c15-10-12-8-4-5-9-13(12)16-14(17)11-6-2-1-3-7-11/h1-9H,(H,16,17)

InChIKey

IQAAKQSNMORTCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40288-69-5

CID: 359334

Formula: C14H10N2O

MW: 222.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.24
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	222.079312947
Monoisotopic Mass	222.079312947
Topological Polar Surface Area	52.9 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	311
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
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