Methyl [3,5-bis(trifluoromethyl)benzyl]{[2'-cyano-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamate

HCID 11577673
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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)ccc1-c1ccccc1C#N
InChIKey
FTIBZJXPYBBHSB-UHFFFAOYSA-N
Molecular formula
C26H17F9N2O2
Average molar mass
560.4 g/mol

Names & identifiers

Preferred name
Methyl [3,5-bis(trifluoromethyl)benzyl]{[2'-cyano-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamate
IUPAC
methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate

Names & synonyms

Methyl [3,5-bis(trifluoromethyl)benzyl]{[2'-cyano-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamateSCHEMBL9886093

Database identifiers

PubChem CID
11577673

Properties

Computed structural properties

XLogP
7.1
Topological polar surface area
53.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
12
Rotatable bonds
6
Heavy atoms
39

Related reactions

3 records
New reaction record

Compound notes

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