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

C₁₀H₁₂BrNOCAS 186296-23-1242.12 g/mol

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Properties

Molecular formula: C₁₀H₁₂BrNO
Molar mass: 242.12 g/mol
Exact mass: 241.0102 Da
logP: 3.49Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

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

4 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

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

Similar compounds

Bromoacetanilide103-88-852 % similar 1-(4-Bromophenyl)ethanol5391-88-844 % 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 (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-140 % similar (αR)-4-Bromo-α-methylbenzenemethanamine45791-36-440 % similar

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

Elsewhere

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