N-(7-Hydroxy-1-naphthalenyl)acetamide

C12H11NO2CAS 6470-18-4201.22 g/mol

Open in Covalent MOL file
ONHOH
AmidePhenol

Properties

Molecular formula
C12H11NO2
Molar mass
201.22 g/mol
Exact mass
201.0790 Da
Melting point
168–169 °C
Boiling point
170–172 °C (at 16 Torr)
logP
2.50Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
6470-18-4
SMILES
CC(=O)NC1=CC=CC2=C1C=C(C=C2)O
InChIKey
ALNWQAFPXMGLTJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO2/c1-8(14)13-12-4-2-3-9-5-6-10(15)7-11(9)12/h2-7,15H,1H3,(H,13,14)
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.72 (d, J = 8.3 Hz, 1H), 7.59 (dd, J = 6.8, 1.3 Hz, 1H), 7.56 (dd, J = 8.3, 1.3 Hz, 1H), 7.40 (br s, 1H), 7.40 (dd, J = 8.3, 6.8 Hz, 1H), 7.28 (d, J = 1.3 Hz, 1H), 6.91 (dd, J = 8.3, 1.3 Hz, 1H), 5.30 (br s, 1H), 2.02 (s, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 171.1, 152.8, 137.7, 129.4, 126.9, 126.4, 126.1, 123.6, 117.8, 115.2, 113.1, 19.7.
[M + H]+
[M + H]+ Calcd for C12H12NO2 202.0863
[M + Na]+
[M + Na]+ Calcd for C12H11NNaO2 224.0682
[M − H]−
[M − H]− Calcd for C12H10NO2 200.0717
Elemental analysis
Anal. Calcd for C12H11NO2: C, 71.63; H, 5.51; N, 6.96.

Weigh it out

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

Names and synonyms

9 names
  • Acetamide, N-(7-hydroxy-1-naphthalenyl)-
  • Acetamide, N-(7-hydroxy-1-naphthyl)-
  • 1-Acetamido-7-naphthol
  • 1-Acetylamino-7-naphthol
  • 1-Acetamido-7-hydroxynaphthalene
  • 1-Acetylamino-7-hydroxynaphthalene
  • N-(7-Hydroxy-1-naphthyl)acetamide
  • NSC 7566
  • N-(7-Hydroxynaphthalene-1-yl)-acetamide

Work with N-(7-Hydroxy-1-naphthalenyl)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

Methyl N-(7-hydroxy-1-naphthalenyl)carbamate132-63-865 % similar N-1-Naphthylacetamide575-36-065 % similar 3-Hydroxyacetanilide621-42-159 % similar N-(2-(7-Hydroxy-1-naphthyl)ethyl)acetamide152302-45-959 % similar N-(2-Chlorophenyl)acetamide533-17-550 % similar 2-Acetamidophenol614-80-250 % similar Acetaminophen103-90-249 % similar N-(3-Chloro-2-methylphenyl)acetamide7463-35-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(2,4-Xylyl)maleimide1080-52-0 1,1′-(1H-Indole-1,3-diyl)bis[ethanone]17537-64-3 4-(Benzyloxy)pyridine N-oxide2683-66-1 4-Benzyloxy-2(1H)-pyridone53937-02-3 Methyl 6-quinolineacetate5622-36-6 Carbaryl63-25-2 6-(Benzyloxy)pyridin-3-ol725256-57-5

Elsewhere

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