Basic information
- Standard SMILES
N#Cc1cccc(OCCNC(=O)c2ccc(N)cc2)c1- InChIKey
NURRGDRUSPEELO-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.11642673
Names & identifiers
- Preferred name
- 4-amino-N-[2-(3-cyanophenoxy)ethyl]benzamide
- IUPAC
- 4-amino-N-[2-(3-cyanophenoxy)ethyl]benzamide
Names & synonyms
SCHEMBL3901294NURRGDRUSPEELO-UHFFFAOYSA-N4-amino-N-[2-(3-cyanophenoxy)ethyl]benzamideN-[2-(3-cyanophenoxy)ethyl]-4-aminobenzamide
Database identifiers
- PubChem CID
- 17788716
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
Related reactions
4 records
Compound notes
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