Basic information
- Standard SMILES
COC(=O)C(C)C(=O)Nc1ccc(OCc2cccc(F)c2)cc1- InChIKey
XQMNAENYZSEBFH-UHFFFAOYSA-N- Molecular formula
- C18H18FNO4
- Average molar mass
- 331.3 g/mol
- Monoisotopic mass
- 331.12198622
Names & identifiers
- Preferred name
- N-[4-(3-Fluoro-benzyloxy)-phenyl]-2-methyl-malonamic Acid Methyl Ester
- IUPAC
- methyl 3-[4-[(3-fluorophenyl)methoxy]anilino]-2-methyl-3-oxopropanoate
Names & synonyms
SCHEMBL4341083XQMNAENYZSEBFH-UHFFFAOYSA-NN-[4-(3-Fluoro-benzyloxy)-phenyl]-2-methyl-malonamic Acid Methyl Ester
Database identifiers
- PubChem CID
- 69008808
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 423
Related reactions
6 records
Compound notes
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