N-(4-Cyanophenyl)acetamide

C₉H₈N₂OCAS 35704-19-9160.18 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₉H₈N₂O
Molar mass: 160.18 g/mol
Exact mass: 160.0637 Da
Melting point: 206–208 °C
logP: 2.17Crippen estimate
Polar surface area: 56.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin90.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled90.9% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

35704-19-9

SMILES

CC(O)=Nc1ccc(C#N)cc1

InChIKey

UFKRTEWFEYWIHD-UHFFFAOYSA-N

InChI

InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

Acetamide, N-(4-cyanophenyl)-
Acetanilide, 4′-cyano-
4′-Cyanoacetanilide
p-Acetamidobenzonitrile
4-Cyanoacetanilide
p-Cyanoacetanilide
4-Acetamidobenzonitrile
N-Acetyl-4-cyanoaniline
NSC 88010
4-Acetylaminobenzonitrile

Work with N-(4-Cyanophenyl)acetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N'-Diacetyl-p-phenylenediamine140-50-165 % similar Acetanilide103-84-459 % similar 4′-Bromoacetanilide103-88-855 % similar 4-Methylacetanilide103-89-955 % similar Acetaminophen103-90-255 % similar N-(4-(2,2-Dicyanoethenyl)phenyl)acetamide26088-79-954 % similar 4′-Mercaptoacetanilide1126-81-453 % similar 4-Aminoacetanilide122-80-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(1H-Imidazol-1-yl)phenol10041-02-8 4-(Oxazol-5-yl)aniline1008-95-3 5-Methyl-3-phenyl-1,2,4-oxadiazole1198-98-7 1-Methyl-2-formylbenzimidazole3012-80-4 1-Methyl-1H-indazole-3-carboxaldehyde4002-83-9 2-Amino-4-hydroxyquinoline42712-64-1 5-Amino-3-phenylisoxazole4369-55-5 2-Amino-8-hydroxyquinoline70125-16-5

Elsewhere

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