Methyl [2-amino-5-(trifluoromethyl)benzyl][3,5-bis(trifluoromethyl)benzyl]carbamate

HCID 59343867
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Basic information

Standard SMILES
COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1N
InChIKey
IWKZNTAUUCLTQU-UHFFFAOYSA-N
Molecular formula
C19H15F9N2O2
Average molar mass
474.3 g/mol
Monoisotopic mass
474.09898118

Names & identifiers

Preferred name
Methyl [2-amino-5-(trifluoromethyl)benzyl][3,5-bis(trifluoromethyl)benzyl]carbamate
IUPAC
methyl N-[[2-amino-5-(trifluoromethyl)phenyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate

Names & synonyms

methyl [2-amino-5-(trifluoromethyl)benzyl][3,5-bis(trifluoromethyl)benzyl]carbamateSCHEMBL9885316

Database identifiers

PubChem CID
59343867

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
55.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
12
Rotatable bonds
5
Heavy atoms
32

Related reactions

2 records
New reaction record

Linked notes

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