chempirical

N,N′-trans-1,4-Cyclohexanediylbis[2-(4-chlorophenoxy)acetamide]

C22H24Cl2N2O4CAS 1597403-47-8451.34 g/mol

Open in Covalent MOL file
OOClNHHNOOCl
Aryl halideEther

Properties

Molecular formula
C22H24Cl2N2O4
Molar mass
451.34 g/mol
Exact mass
450.1113 Da
logP
5.68Crippen estimate
Polar surface area
83.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
8
Stereocentres
r, rin SMILES atom order

Identifiers

CAS number
1597403-47-8
SMILES
OC(COc1ccc(Cl)cc1)=N[C@H]1CC[C@H](N=C(O)COc2ccc(Cl)cc2)CC1
InChIKey
HJGMCDHQPXTGAV-IYARVYRRNA-N
InChI
InChI=1/C22H24Cl2N2O4/c23-15-1-9-19(10-2-15)29-13-21(27)25-17-5-7-18(8-6-17)26-22(28)14-30-20-11-3-16(24)4-12-20/h1-4,9-12,17-18H,5-8,13-14H2,(H,25,27)(H,26,28)/t17-,18-

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

Names and synonyms

3 names
  • Acetamide, N,N′-trans-1,4-cyclohexanediylbis[2-(4-chlorophenoxy)-
  • SMDC 750213
  • ISRIB

Work with N,N′-trans-1,4-Cyclohexanediylbis[2-(4-chlorophenoxy)acetamide]

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

4-Chlorophenoxyacetic acid122-88-351 % similar Bis(P-chlorophenoxy)methane555-89-543 % similar 3-(4-Chlorophenoxy)propanoic acid3284-79-542 % similar 2-(4-Chlorophenoxy)ethanol1892-43-941 % similar Sodium P-chlorophenoxyacetate13730-98-841 % similar Chlorphenesin carbamate886-74-840 % similar Chlorphenesin104-29-040 % similar 1-Chloro-4-ethoxybenzene622-61-739 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook