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2-[4-dimethylamino-4-(3-fluorophenyl)cyclohexyl]-N-(3-phenylpropyl)acetamide

HCID 11633423
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)C1(c2cccc(F)c2)CCC(CC(=O)NCCCc2ccccc2)CC1
InChIKey
LIFZJFNOUKJNIN-UHFFFAOYSA-N
Molecular formula
C25H33FN2O
Average molar mass
396.5 g/mol
Monoisotopic mass
396.25769184

Names & identifiers

Preferred name
2-[4-dimethylamino-4-(3-fluorophenyl)cyclohexyl]-N-(3-phenylpropyl)acetamide
IUPAC
2-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-N-(3-phenylpropyl)acetamide

Names & synonyms

SCHEMBL2379972LIFZJFNOUKJNIN-UHFFFAOYSA-N2-[4-dimethylamino-4-(3-fluorophenyl)cyclohexyl]-N-(3-phenylpropyl)acetamide2-[4-dimethylamino-4-(3-fluorophenyl)cyclohexyl]-N-(3-phenylpropyl)-acetamide

Database identifiers

PubChem CID
11633423

Properties

Computed structural propertiesFilling in

XLogP
4.7
Topological polar surface area
32.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
29
Formal charge
0
Complexity
495

Related reactions

5 records
New reaction record
HRID 157996 reaction equation
HRID 157996As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 908991 reaction equation
HRID 908991As productuspto-grants-2011_09
HRID 908992 reaction equation
HRID 908992As reactantuspto-grants-2011_09
HRID 908993 reaction equation
HRID 908993As reactantuspto-grants-2011_09
HRID 1120780 reaction equation
HRID 1120780As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes