N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide

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Basic information

CAS: 851892-78-9
Standard SMILES: CC(NC(=O)CNC(=O)C1CCCCC1)c1cccc(Cl)c1
InChIKey: JUWPKUWSTIZPHD-UHFFFAOYSA-N
Molecular formula: C17H23ClN2O2
Average molar mass: 322.8 g/mol
Monoisotopic mass: 322.1448057

Names & identifiers

Preferred name: N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
IUPAC: N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide

Names & synonyms

N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamideMLS001233805CHEMBL1882906DTXSID601330600HMS2896K15AKOS001236389851892-78-9SMR000590937Z32291248N-(2-{[1-(3-Chlorophenyl)ethyl]amino}-2-oxoethyl)cyclohexanecarboxamide

Database identifiers

CAS: 851892-78-9
PubChem CID: 4884539
DTXSID: DTXSID601330600
ChEMBL: CHEMBL1882906

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 383

Experimental & physicochemical properties

Solubility42.6 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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