N-[(1S)-1-(4-Bromophenyl)ethyl]acetamide

C10H12BrNOCAS 186296-23-1242.12 g/mol

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ONHBr
Aryl halide

Properties

Molecular formula
C10H12BrNO
Molar mass
242.12 g/mol
Exact mass
241.0102 Da
logP
3.49Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
186296-23-1
SMILES
CC(O)=N[C@@H](C)c1ccc(Br)cc1
InChIKey
DRRCKKJEBGEBGR-ZETCQYMHSA-N
InChI
InChI=1S/C10H12BrNO/c1-7(12-8(2)13)9-3-5-10(11)6-4-9/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1

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Names and synonyms

5 names
  • Acetamide, N-[(1S)-1-(4-bromophenyl)ethyl]-
  • Acetamide, N-[1-(4-bromophenyl)ethyl]-, (S)-
  • (S)-N-[1-(4-Bromophenyl)ethyl]acetamide
  • (S)-N-[1-(4-Bromophenyl)ethyl]ethanamide
  • N-((1S)-1-(4-Bromophenyl)ethyl)acetamide

Work with N-[(1S)-1-(4-Bromophenyl)ethyl]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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-[(1R)-1-(4-Bromophenyl)ethyl]acetamide177750-53-7Enantiomer

Similar compounds

4′-Bromoacetanilide103-88-852 % similar (1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-144 % similar 1-(4-Bromophenyl)ethanol5391-88-844 % similar (R)-4-Bromo-alpha-methylbenzyl alcohol76155-78-744 % similar 1-Bromo-4-isopropylbenzene586-61-844 % similar N-(4-Bromo-2-methylphenyl)acetamide24106-05-643 % similar N-(4-Bromo-2-fluorophenyl)acetamide326-66-941 % similar 1-(4-Bromophenyl)ethylamine24358-62-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Bromophenyl)morpholine30483-75-1

Elsewhere

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