2-[(2-fluorophenyl)acetamido]butyric Acid Iso-butyl Ester

HCID 53643249
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Basic information

Standard SMILES
CCC(NC(=O)Cc1ccccc1F)C(=O)OCC(C)C
InChIKey
AHNHBQYMZKEFBD-UHFFFAOYSA-N
Molecular formula
C16H22FNO3
Average molar mass
295.35 g/mol

Names & identifiers

Preferred name
2-[(2-fluorophenyl)acetamido]butyric Acid Iso-butyl Ester
IUPAC
2-methylpropyl 2-[[2-(2-fluorophenyl)acetyl]amino]butanoate

Names & synonyms

SCHEMBL4414999AHNHBQYMZKEFBD-UHFFFAOYSA-N2-[(2-fluorophenyl)acetamido]butyric Acid Iso-butyl Ester

Database identifiers

PubChem CID
53643249

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
21

Related reactions

27 records
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Compound notes

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