Butyranilide, 4-(diethylamino)-5'-ethyl-2'-fluoro-

HCID 12910

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Basic information

CAS: 736-12-9
Standard SMILES: CCc1ccc(F)c(NC(=O)CCCN(CC)CC)c1
InChIKey: ODHBQAIPEVWZLU-UHFFFAOYSA-N
Molecular formula: C16H25FN2O
Average molar mass: 280.38 g/mol
Monoisotopic mass: 280.19509159

Names & identifiers

Preferred name: Butyranilide, 4-(diethylamino)-5'-ethyl-2'-fluoro-
IUPAC: 4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide

Names & synonyms

BRN 2698825BUTYRANILIDE, 4-(DIETHYLAMINO)-5'-ETHYL-2'-FLUORO-736-12-94-(Diethylamino)-5'-ethyl-2'-fluorobutyranilidegamma-Diaethylamino-3-aethyl-6-fluor-butyranilid [German]Butanamide, 4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)-DTXSID30223785gamma-Diaethylamino-3-aethyl-6-fluor-butyranilidRefChem:331218DTXCID601462764-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide

Database identifiers

CAS: 736-12-9
PubChem CID: 12910
DTXSID: DTXSID30223785

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 282

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