Basic information
- Standard SMILES
Cc1ccc(C(=O)N2CCCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(F)nc1- InChIKey
YZMFMVCLOANHLE-UHFFFAOYSA-N- Molecular formula
- C27H25FN4O2
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.19615422
Names & identifiers
- Preferred name
- N-(5-(4-(4-Cyanophenyl)azepane-1-carbonyl)-2-methylphenyl)-6-fluoronicotinamide
- IUPAC
- N-[5-[4-(4-cyanophenyl)azepane-1-carbonyl]-2-methylphenyl]-6-fluoropyridine-3-carboxamide
Names & synonyms
SCHEMBL12487891YZMFMVCLOANHLE-UHFFFAOYSA-NN-(5-(4-(4-Cyanophenyl)azepane-1-carbonyl)-2-methylphenyl)-6-fluoronicotinamide
Database identifiers
- PubChem CID
- 68288115
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 759
Related reactions
1 records
Compound notes
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