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Basic information
- Standard SMILES
C#Cc1cccc(NC(=O)c2ccc(C)c(F)c2)c1- InChIKey
ZDKPWNGKXXVRII-UHFFFAOYSA-N- Molecular formula
- C16H12FNO
- Average molar mass
- 253.27 g/mol
- Monoisotopic mass
- 253.09029217
Names & identifiers
- Preferred name
- N-(3-ethynylphenyl)-3-fluoro-4-methylbenzamide
- IUPAC
- N-(3-ethynylphenyl)-3-fluoro-4-methylbenzamide
Names & synonyms
AKOS009118994CCG-313009Z237603684
Database identifiers
- PubChem CID
- 17522276
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 372
Related reactions
53 records
Compound notes
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