chempirical

Mandelamide

C8H9NO2CAS 4410-31-5151.16 g/mol

Open in Covalent MOL file
NH2OHO
Alcohol

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
122–123 °C
logP
1.26Crippen estimate
Polar surface area
64.3 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
2

Identifiers

CAS number
4410-31-5
SMILES
N=C(O)C(O)c1ccccc1
InChIKey
MAGPZHKLEZXLNU-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11)

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

Names and synonyms

10 names
  • Benzeneacetamide, α-hydroxy-
  • α-Hydroxybenzeneacetamide
  • 2-Phenylglycolamide
  • Amygdalinamide
  • α-Hydroxybenzylcarboxamide
  • 2-Hydroxy-2-phenylacetamide
  • (±)-Mandelamide
  • DL-Mandelic acid amide
  • Racemic mandelamide
  • NSC 16603

Reactions

Work with Mandelamide

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

D-Phenylglycine amide6485-67-257 % similar (S)-Mandelic acid17199-29-053 % similar (-)-Mandelic acid611-71-253 % similar Mandelic acid90-64-253 % similar 2-Phenylbutanamide90-26-652 % similar Hydroxy(phenyl)acetic acid hydrazide2443-66-548 % similar α-Phenyl-2-pyridineacetamide7251-52-747 % similar Phenylacetylcarbinol1798-60-347 % similar

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

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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