N-Benzyl-4-chloro-N-cyclohexylbenzamide

C₂₀H₂₂ClNOCAS 945714-67-0327.85 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₂₀H₂₂ClNO
Molar mass: 327.85 g/mol
Exact mass: 327.1390 Da
logP: 5.32Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

945714-67-0

SMILES

C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl

InChIKey

XDFKWGIBQMHSOH-UHFFFAOYSA-N

InChI

InChI=1S/C20H22ClNO/c21-18-13-11-17(12-14-18)20(23)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2

Weigh it out

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

Work with N-Benzyl-4-chloro-N-cyclohexylbenzamide

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

Pencycuron66063-05-655 % similar 1-(4-Chlorophenyl)-2-phenylethanone1889-71-045 % similar 4-Chlorobenzophenone134-85-040 % similar 1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedione22711-23-540 % similar (4-Chlorophenyl)cyclopropylmethanone6640-25-139 % similar Benzoylpiperidine776-75-039 % similar 8-Benzyl-8-azabicyclo[3.2.1]octan-3-one28957-72-438 % similar 2-(4-Chlorophenyl)-1H-isoindole-1,3(2H)-dione7386-21-238 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook