Basic information
- CAS
771477-12-4- Standard SMILES
CC(=O)Nc1ccc(Sc2ccc(N)cc2F)cc1- InChIKey
BAMQHNRNCNMFTK-UHFFFAOYSA-N- Molecular formula
- C14H13FN2OS
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.07326238
Names & identifiers
- Preferred name
- N-[4-[(4-Amino-2-fluorophenyl)thio]phenyl]acetamide
- IUPAC
- N-[4-(4-amino-2-fluorophenyl)sulfanylphenyl]acetamide
- English name
- N-[4-[(4-Amino-2-fluorophenyl)thio]phenyl]acetamide
- Molecular formula
- C14H13FN2OS
- Molecular weight
- 276.33
Names & synonyms
N-[4-[(4-Amino-2-fluorophenyl)thio]phenyl]acetamide771477-12-4N-[4-(4-amino-2-fluorophenyl)sulfanylphenyl]acetamideDTXSID20651876DB-298659N-{4-[(4-Amino-2-fluorophenyl)sulfanyl]phenyl}acetamideAcetamide, N-[4-[(4-amino-2-fluorophenyl)thio]phenyl]-
Database identifiers
- CAS
771477-12-4- PubChem CID
- 28972792
- DTXSID
DTXSID20651876
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 510.4 · 510.4±50.0 °C(Predicted)
- Density
- 1.31 · 1.31
- pka
- 14.5 · 14.50±0.70(Predicted)
Chemistry & industry
Suppliers1 total
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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