CAS 186296-23-1 N-((1S)-1-(4-Bromophenyl)ethyl)acetamide (HCID 793484)

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Basic information

CAS: 186296-23-1
Standard SMILES: CC(=O)N[C@@H](C)c1ccc(Br)cc1
InChIKey: DRRCKKJEBGEBGR-ZETCQYMHSA-N
Molecular formula: C10H12BrNO
Average molar mass: 242.11 g/mol
Monoisotopic mass: 241.0102261

Names & identifiers

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

Names & synonyms

186296-23-1N-[(1S)-1-(4-bromophenyl)ethyl]acetamideN-((1S)-1-(4-Bromophenyl)ethyl)acetamideRefChem:359543(S)-N-(1-(4-Bromophenyl)ethyl)acetamide(S)-N-[1-(4-Bromophenyl)ethyl]acetamideSCHEMBL255679DRRCKKJEBGEBGR-ZETCQYMHSA-NDTXSID101277401MFCD2092611AKOS019026852SY500649

Show more names

Acetamide, N-[(1S)-1-(4-bromophenyl)ethyl]-

(S)-N-(1-(4-bromophenyl)ethyl)acetamid(S)-N-acetyl-1-(4-bromophenyl)ethylamineDB-310454(S)-N-[1-(4-Bromo-phenyl)ethyl]-acetamide(S)-N-[1-(4-bromo-phenyl)-ethyl]-acetamideW11920

Database identifiers

CAS: 186296-23-1
PubChem CID: 793484
DTXSID: DTXSID101277401
Nikkaji: J1.766.875G

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

Boiling point: 396.4 · 396.4±25.0 °C(Predicted)
Density: 1.359 · 1.359±0.06 g/cm3(Predicted)
pka: 15.51 · 15.51±0.46(Predicted)
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
InChIKey: DRRCKKJEBGEBGR-ZETCQYMHSA-N
SMILES: C(N[C@H](C1=CC=C(Br)C=C1)C)(=O)C