ST4075128
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Basic information
- CAS
524051-87-4- Standard SMILES
N#CCc1ccc(NC(=O)c2ccccc2F)cc1- InChIKey
LYNDJQMIFYSTGJ-UHFFFAOYSA-N- Molecular formula
- C15H11FN2O
- Average molar mass
- 254.26 g/mol
- Monoisotopic mass
- 254.08554114
Names & identifiers
- Preferred name
- ST4075128
- IUPAC
- N-[4-(cyanomethyl)phenyl]-2-fluorobenzamide
- English name
- Benzamide, N-[4-(cyanomethyl)phenyl]-2-fluoro- (9CI)
- Molecular formula
- C15H11FN2O
- Molecular weight
- 254.26
Names & synonyms
524051-87-4ST4075128DTXSID80354659RefChem:381522DTXCID50305719N-[4-(cyanomethyl)phenyl]-2-fluorobenzamideBENZAMIDE, N-[4-(CYANOMETHYL)PHENYL]-2-FLUORO-Oprea1_557065LYNDJQMIFYSTGJ-UHFFFAOYSA-NSTK698087AKOS000392306Benzamide, N-(4-cyanomethylphenyl)-2-fluoro-
Show more names
Benzamide, N-[4-(cyanomethyl)phenyl]-2-fluoro- (9CI)
N-[4-(cyanomethyl)phenyl](2-fluorophenyl)carboxamideZ90995525
Database identifiers
- CAS
524051-87-4- PubChem CID
- 778207
- DTXSID
DTXSID80354659
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
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Related reactions
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Compound notes
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