8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

C₁₃H₉ClN₂OCAS 50892-62-1244.68 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₁₃H₉ClN₂O
Molar mass: 244.68 g/mol
Exact mass: 244.0403 Da
Melting point: 165 °C
logP: 4.03Crippen estimate
Polar surface area: 44.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed76.9% of notifiers
H341 Suspected of causing genetic defects69.2% of notifiers

Aggregated from 13 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, P501

Identifiers

CAS number

50892-62-1

SMILES

OC1=Nc2cc(Cl)ccc2Nc2ccccc21

InChIKey

YVWNDABPZGGQFE-UHFFFAOYSA-N

InChI

InChI=1S/C13H9ClN2O/c14-8-5-6-11-12(7-8)16-13(17)9-3-1-2-4-10(9)15-11/h1-7,15H,(H,16,17)

Weigh it out

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

Names and synonyms

3 names

11H-Dibenzo[b,e][1,4]diazepin-11-one, 8-chloro-5,10-dihydro-
8-Chloro-5,10-dihydrodibenzo[b,e][1,4]diazepin-11-one
8-Chloro-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one

Work with 8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-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

N-Desmethylclozapine6104-71-858 % similar Clozapine5786-21-056 % similar Clozapine N-oxide34233-69-754 % similar Lobenzarit63329-53-352 % similar 5,11-Dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one885-70-149 % similar 2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one3158-91-648 % similar N-(5-Chloro-2-methylphenyl)-3-hydroxy-2-naphthalenecarboxamide135-63-745 % similar 2-((3-Chlorophenyl)amino)benzoic acid13278-36-945 % similar

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

Same formula

4-Phenylazobenzoyl chloride104-24-5

Elsewhere

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