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ethyl 2-[2-amino-5-(difluoromethoxy)-3,4,6-trifluorobenzoyl]-3-(cyclopropylamino)prop-2-enoate

HCID 178471897
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(=CNC1CC1)C(=O)c1c(N)c(F)c(F)c(OC(F)F)c1F
InChIKey
HAKAPRRMRKMBHJ-UHFFFAOYSA-N
Molecular formula
C16H15F5N2O4
Average molar mass
394.29 g/mol
Monoisotopic mass
394.09519777

Names & identifiers

IUPAC
ethyl 2-[2-amino-5-(difluoromethoxy)-3,4,6-trifluorobenzoyl]-3-(cyclopropylamino)prop-2-enoate

Database identifiers

PubChem CID
86745293

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
90.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
9
Heavy atoms
27
Formal charge
0
Complexity
587

Related reactions

9 records
New reaction record
HRID 96657 reaction equation
HRID 96657As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1440104 reaction equation
HRID 1440104As productuspto-grants-1996_03
HRID 1440105 reaction equation
HRID 1440105As reactantuspto-grants-1996_03
HRID 1461032 reaction equation
HRID 1461032As productuspto-grants-1991_12
HRID 1461033 reaction equation
HRID 1461033As reactantuspto-grants-1991_12
HRID 1648646 reaction equation
HRID 1648646As productuspto-grants-1995_07
HRID 1648647 reaction equation
HRID 1648647As reactantuspto-grants-1995_07
HRID 2226495 reaction equation
HRID 2226495As productuspto-grants-1994_09
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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes