Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccc(F)cc2)cc1N- InChIKey
VBHYKUQKJLBZLV-UHFFFAOYSA-N- Molecular formula
- C19H19FN2O2
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.14305602
Names & identifiers
- Preferred name
- [2-Amino-4-(4-fluoro-phenylethynyl)-phenyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[2-amino-4-[2-(4-fluorophenyl)ethynyl]phenyl]carbamate
Names & synonyms
SCHEMBL5557083VBHYKUQKJLBZLV-UHFFFAOYSA-NDB-374306[2-amino-4-(4-fluoro-phenylethynyl)-phenyl]-carbamic acid tert-butyl ester[2-Amino-4-(4-fluoro-phenylethynyl)-phenyl]-carbamic acid tert.-butyl ester1,1-Dimethylethyl N-[2-amino-4-[2-(4-fluorophenyl)ethynyl]phenyl]carbamate335255-58-8
Database identifiers
- PubChem CID
- 69486641
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 494
Related reactions
38 records
Compound notes
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