chempirical

Cyclanilide

C11H9Cl2NO3CAS 113136-77-9274.10 g/mol

Open in Covalent MOL file
OHOOHNClCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C11H9Cl2NO3
Molar mass
274.10 g/mol
Exact mass
272.9959 Da
Density
1.4691–1.482 g/mL (at 20 °C)
Melting point
195.5 °C
logP
3.45Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
113136-77-9
SMILES
O=C(O)C1(C(O)=Nc2ccc(Cl)cc2Cl)CC1
InChIKey
GLWWLNJJJCTFMZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H9Cl2NO3/c12-6-1-2-8(7(13)5-6)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)

Weigh it out

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

Names and synonyms

5 names
  • Cyclopropanecarboxylic acid, 1-[[(2,4-dichlorophenyl)amino]carbonyl]-
  • 1-[[(2,4-Dichlorophenyl)amino]carbonyl]cyclopropanecarboxylic acid
  • RPA 90946
  • 1-[(2,4-Dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
  • 1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylicacid

Work with Cyclanilide

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-(2,4-Dichlorophenyl)acetamide6975-29-750 % similar 1-(4-Chlorophenyl)cyclopropanecarboxylic acid72934-37-344 % similar 1-(4-Chlorophenyl)cyclobutanecarboxylic acid50921-39-642 % similar 2,4-Dichlorophenylacetic acid19719-28-941 % similar 1-(4-Chlorophenyl)cyclohexanecarboxylic acid58880-37-841 % similar 2,4-Dichlorophenyl isocyanate2612-57-941 % similar 2,4-Dichlorobenzoic acid50-84-041 % similar 2,4-Dichlorophenoxyacetic acid94-75-739 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook