Basic information
- Standard SMILES
COC(=O)c1cc(NCc2ccc(C#Cc3ccccc3)cc2)ccc1F- InChIKey
OLCVZQZQYJONOA-UHFFFAOYSA-N- Molecular formula
- C23H18FNO2
- Average molar mass
- 359.4 g/mol
Names & identifiers
- Preferred name
- Methyl 2-fluoro-5-{[4-(phenylethynyl)benzyl]amino}benzoate
- IUPAC
- methyl 2-fluoro-5-[[4-(2-phenylethynyl)phenyl]methylamino]benzoate
Names & synonyms
SCHEMBL1813098OLCVZQZQYJONOA-UHFFFAOYSA-Nmethyl 2-fluoro-5-{[4-(phenylethynyl)benzyl]amino}benzoate
Database identifiers
- PubChem CID
- 57554560
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 537
Related reactions
4 records
Compound notes
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