3-(1-adamantyl)4-methoxy-N-(trifluoroacetyl)aniline

HCID 19068280
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Basic information

Standard SMILES
COc1ccc(NC(=O)C(F)(F)F)cc1C12CC3CC(CC(C3)C1)C2
InChIKey
FFIUEYYDVIIESV-UHFFFAOYSA-N
Molecular formula
C19H22F3NO2
Average molar mass
353.4 g/mol
Monoisotopic mass
353.16026343

Names & identifiers

Preferred name
3-(1-adamantyl)4-methoxy-N-(trifluoroacetyl)aniline
IUPAC
N-[3-(1-adamantyl)-4-methoxyphenyl]-2,2,2-trifluoroacetamide

Names & synonyms

3-(1-adamantyl)4-methoxy-N-(trifluoroacetyl)anilineSCHEMBL84242523-(1-adamantyl)-4-methoxy-N-(trifluoroacetyl)aniline3-(1-adamantyl)4-methoxy -N-(trifluoroacetyl)aniline3-(1-admantyl)-4-methoxy-N-(trifluoroacetyl)aniline

Database identifiers

PubChem CID
19068280

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
25

Related reactions

9 records
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Compound notes

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