Dimethyl 2-(3-[2-({[4-(trifluoromethyl)-anilino]carbonyl}oxy)ethyl]benzyl}malonate

HCID 57719567
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Basic information

Standard SMILES
COC(=O)C(Cc1cccc(CCOC(=O)Nc2ccc(C(F)(F)F)cc2)c1)C(=O)OC
InChIKey
ISAPQPODMJFFPA-UHFFFAOYSA-N
Molecular formula
C22H22F3NO6
Average molar mass
453.4 g/mol
Monoisotopic mass
453.13992191

Names & identifiers

Preferred name
Dimethyl 2-(3-[2-({[4-(trifluoromethyl)-anilino]carbonyl}oxy)ethyl]benzyl}malonate
IUPAC
dimethyl 2-[[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyloxy]ethyl]phenyl]methyl]propanedioate

Names & synonyms

Dimethyl 2-(3-[2-({[4-(trifluoromethyl)-anilino]carbonyl}oxy)ethyl]benzyl}malonateDimethyl 2-{3-[2-({[4-(trifluoromethyl)-anilino]carbonyl}oxy)ethyl]benzyl}malonateSCHEMBL13810358

Database identifiers

PubChem CID
57719567

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
90.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
11
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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