Methyl 2-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-3-oxoheptanoate

HCID 57460325
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Basic information

Standard SMILES
CCCCC(=O)C(Cc1ccc(-c2ccccc2C#N)cc1F)C(=O)OC
InChIKey
AWCQYVSAQWUCJF-UHFFFAOYSA-N
Molecular formula
C22H22FNO3
Average molar mass
367.4 g/mol

Names & identifiers

Preferred name
Methyl 2-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-3-oxoheptanoate
IUPAC
methyl 2-[[4-(2-cyanophenyl)-2-fluorophenyl]methyl]-3-oxoheptanoate

Names & synonyms

SCHEMBL1373247AWCQYVSAQWUCJF-UHFFFAOYSA-Nmethyl 2-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-3-oxoheptanoate

Database identifiers

PubChem CID
57460325

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
67.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
27

Related reactions

17 records
New reaction record

Compound notes

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