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2-chloro-N-methyl-N-[4-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]octane-6-carbonyl)-phenyl]-acetamide

HCID 68432425
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C(=O)CCl)c1ccc(C(=O)N2CC3(C)CC2CC(C)(C)C3)cc1
InChIKey
KIDIJUXQTVHPCE-UHFFFAOYSA-N
Molecular formula
C20H27ClN2O2
Average molar mass
362.9 g/mol
Monoisotopic mass
362.1761058

Names & identifiers

Preferred name
2-chloro-N-methyl-N-[4-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]octane-6-carbonyl)-phenyl]-acetamide
IUPAC
2-chloro-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide

Names & synonyms

SCHEMBL2897406KIDIJUXQTVHPCE-UHFFFAOYSA-N2-chloro-N-methyl-N-[4-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]octane-6-carbonyl)-phenyl]-acetamide

Database identifiers

PubChem CID
68432425

Properties

Computed structural propertiesFilling in

XLogP
3.9
Topological polar surface area
40.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
25
Formal charge
0
Complexity
542

Related reactions

2 records
New reaction record
HRID 643266 reaction equation
HRID 643266As productuspto-grants-2010_04
HRID 2310181 reaction equation
HRID 2310181As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes