2-(4-Chlorophenyl)-N-cyclohexyl-5-oxooxolane-2-carboximidic acid

HCID 37022

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Basic information

CAS: 34971-22-7
Standard SMILES: O=C1CCC(C(=O)NC2CCCCC2)(c2ccc(Cl)cc2)O1
InChIKey: WVPRACBBXAHOHI-UHFFFAOYSA-N
Molecular formula: C17H20ClNO3
Average molar mass: 321.8 g/mol
Monoisotopic mass: 321.1131712

Names & identifiers

Preferred name: 2-(4-Chlorophenyl)-N-cyclohexyl-5-oxooxolane-2-carboximidic acid
IUPAC: 2-(4-chlorophenyl)-N-cyclohexyl-5-oxooxolane-2-carboxamide

Names & synonyms

34971-22-7DTXSID809564302-(4-Chlorophenyl)-N-cyclohexyl-5-oxooxolane-2-carboximidic acidRefChem:1061219DTXCID4013843942-(p-Chlorophenyl)-N-cyclohexyltetrahydro-2-furamideCyclohexylamide of gamma-p-chlorophenyltetrahydrofuranone-2-gamma-carboxylic acid2-FURAMIDE, TETRAHYDRO-2-(p-CHLOROPHENYL)-N-CYCLOHEXYL-

Database identifiers

CAS: 34971-22-7
PubChem CID: 37022
DTXSID: DTXSID80956430

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 428

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