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

C₁₀H₁₂BrNOCAS 177750-53-7242.12 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₁₀H₁₂BrNO
Molar mass: 242.12 g/mol
Exact mass: 241.0102 Da
logP: 2.65Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

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

Identifiers

CAS number

177750-53-7

SMILES

C[C@H](C1=CC=C(C=C1)Br)NC(=O)C

InChIKey

DRRCKKJEBGEBGR-SSDOTTSWSA-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-/m1/s1

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Names and synonyms

1 names

(R)-N-Acetyl-1-(4-bromophenyl)ethylamine

Work with N-[(1R)-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-[(1S)-1-(4-Bromophenyl)ethyl]acetamide186296-23-1Enantiomer

Similar compounds

4,4′-Dibromobenzil35578-47-342 % similar 1-Bromo-4-isopropylbenzene586-61-842 % similar 2-Acetamido-5-bromopyridine7169-97-341 % similar (1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-139 % similar 1-(4-Bromophenyl)ethylamine24358-62-139 % similar (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-139 % similar (αR)-4-Bromo-α-methylbenzenemethanamine45791-36-439 % similar 1-(4-Bromophenyl)ethanol5391-88-839 % 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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