chempirical

1-(3-Chloro-10,11-dihydro-5H-dibenz[B,F]azepin-5-yl)ethanone

C16H14ClNOCAS 25961-11-9271.74 g/mol

Open in Covalent MOL file
ONCl
AmideAryl halide

Properties

Molecular formula
C16H14ClNO
Molar mass
271.74 g/mol
Exact mass
271.0764 Da
Melting point
126 °C
logP
4.12Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
25961-11-9
SMILES
CC(=O)N1c2ccccc2CCc2ccc(Cl)cc21
InChIKey
NMZOSOMVILZBJL-UHFFFAOYSA-N
InChI
InChI=1S/C16H14ClNO/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7H2,1H3

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

Names and synonyms

6 names
  • Ethanone, 1-(3-chloro-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-
  • 5H-Dibenz[b,f]azepine, 5-acetyl-3-chloro-10,11-dihydro-
  • 5-Acetyl-3-chloroiminodibenzyl
  • 5-Acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine
  • 1-(3-Chloro-10,11-dihydrodibenzo[b,f]azepin-5-yl)ethanone
  • 5-Acetyl-3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepine

Work with 1-(3-Chloro-10,11-dihydro-5H-dibenz[B,F]azepin-5-yl)ethanone

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

1-(3-Amino-10,11-dihydro-5H-dibenz[B,F]azepin-5-yl)ethanone84803-67-867 % similar Clomipramine303-49-149 % similar 1-Acetylindoline16078-30-149 % similar 10,11-Dihydro-5H-dibenz[B,F]azepine-5-carbonyl chloride33948-19-548 % similar Clomipramine hydrochloride17321-77-646 % similar 3-Chloroiminodibenzyl32943-25-243 % similar 1-(2,6-Dichlorophenyl)indolin-2-one15362-40-043 % similar N,N-Diphenylacetamide519-87-943 % similar

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

Elsewhere

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