chempirical

3-(2-Bromopropanoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one

C16H18BrNO3CAS 158299-05-9352.23 g/mol

Open in Covalent MOL file
ONOOBr
Alkyl halideAmideEtherLactam

Properties

Molecular formula
C16H18BrNO3
Molar mass
352.23 g/mol
Exact mass
351.0470 Da
logP
3.49Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
158299-05-9
SMILES
CC(C(=O)N1C(=O)C2=CC=CC=C2OC13CCCCC3)Br
InChIKey
APCHXTHKSJHPPE-UHFFFAOYSA-N
InChI
InChI=1S/C16H18BrNO3/c1-11(17)14(19)18-15(20)12-7-3-4-8-13(12)21-16(18)9-5-2-6-10-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 3-(2-Bromo-1-oxopropyl)-spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one

Work with 3-(2-Bromopropanoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one

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

2-Bromo-1-[4-(phenylmethoxy)phenyl]-1-propanone35081-45-932 % similar α-Bromopropiophenone2114-00-332 % similar N-Isopropylphthalimide304-17-632 % similar Cyclohexylthiophthalimide17796-82-631 % similar 4-Phthalimidobutyric acid3130-75-430 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook