4-Ethylbenzamide

C9H11NOCAS 33695-58-8149.19 g/mol

Open in Covalent MOL file
ONH2
Amide

Properties

Molecular formula
C9H11NO
Molar mass
149.19 g/mol
Exact mass
149.0841 Da
logP
1.35Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
33695-58-8
SMILES
CCC1=CC=C(C=C1)C(=O)N
InChIKey
YKFAFWKDOSYQIP-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H2,10,11)

Weigh it out

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Work with 4-Ethylbenzamide

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

4-N-Butylbenzamide107377-07-163 % similar Terephthalamide3010-82-061 % similar 4′-Ethylacetophenone937-30-459 % similar 4-Ethylbenzoyl chloride16331-45-657 % similar 4'-Ethylpropiophenone27465-51-657 % similar 4-Ethylbenzoic acid619-64-757 % similar 4-Ethylbenzophenone18220-90-155 % similar 4-Methylbenzamide619-55-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

para-Dimethylaminobenzaldehyde100-10-7 4-Methylacetanilide103-89-9 1-(3-Aminophenyl)-1-propanone1197-05-3 N-(2-Methylphenyl)acetamide120-66-1 (1S,2R)-(-)-1-Amino-2-indanol126456-43-7 (+)-cis-1-Amino-2-indanol136030-00-7 1,2,3,4-Tetrahydroisoquinolin-6-ol14446-24-3 (1R,2R)-(-)-trans-1-Amino-2-indanol163061-73-2

Elsewhere

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