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

HCID 793485

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Basic information

CAS: 177750-53-7
Standard SMILES: CC(=O)N[C@H](C)c1ccc(Br)cc1
InChIKey: DRRCKKJEBGEBGR-SSDOTTSWSA-N
Molecular formula: C10H12BrNO
Average molar mass: 242.11 g/mol
Monoisotopic mass: 241.01023

Names & identifiers

Preferred name: N-[(1R)-1-(4-bromophenyl)ethyl]acetamide
IUPAC: N-[(1R)-1-(4-bromophenyl)ethyl]acetamide
English name: (R)-N-acetyl-1-(4-bromophenyl)ethylamine
Molecular formula: C10H12BrNO
Molecular weight: 242.11

Names & synonyms

177750-53-7(R)-N-(1-(4-Bromophenyl)ethyl)acetamideN-[(1R)-1-(4-bromophenyl)ethyl]acetamide(R)N-[1-(4-Bromo-phenyl)-ethyl]-acetamideSCHEMBL255664DTXSID20355185DRRCKKJEBGEBGR-SSDOTTSWSA-NAKOS019933003(R)-N-acetyl-1-(4-bromophenyl)ethylamineDB-310308Acetamide, N-[(1R)-1-(4-bromophenyl)ethyl]-

Database identifiers

CAS: 177750-53-7
PubChem CID: 793485
DTXSID: DTXSID20355185
Nikkaji: J1.962.628H

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 176

Physicochemical properties

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
InChIKey: DRRCKKJEBGEBGR-SSDOTTSWSA-N
SMILES: C(N[C@@H](C1=CC=C(Br)C=C1)C)(=O)C