{3-[2-(3-Chlorophenyl)-2,2-difluoroethylamino]-6-cyano-2-fluorophenyl}acetic acid ethyl ester

HCID 57722713
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Basic information

Standard SMILES
CCOC(=O)Cc1c(C#N)ccc(NCC(F)(F)c2cccc(Cl)c2)c1F
InChIKey
AHRXLFSHUJAUCR-UHFFFAOYSA-N
Molecular formula
C19H16ClF3N2O2
Average molar mass
396.8 g/mol
Monoisotopic mass
396.0852399

Names & identifiers

Preferred name
{3-[2-(3-Chlorophenyl)-2,2-difluoroethylamino]-6-cyano-2-fluorophenyl}acetic acid ethyl ester
IUPAC
ethyl 2-[3-[[2-(3-chlorophenyl)-2,2-difluoroethyl]amino]-6-cyano-2-fluorophenyl]acetate

Names & synonyms

{3-[2-(3-Chlorophenyl)-2,2-difluoroethylamino]-6-cyano-2-fluorophenyl}acetic acid ethyl esterSCHEMBL3888247

Database identifiers

PubChem CID
57722713

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
62.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
27

Related reactions

1 records
New reaction record

Compound notes

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