Basic information
- Standard SMILES
N#Cc1cccc(OCCNC(=O)c2ccc(C(N)=O)cc2)c1- InChIKey
ZEKLBBOUPAJFAN-UHFFFAOYSA-N- Molecular formula
- C17H15N3O3
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.11134135
Names & identifiers
- Preferred name
- N-[2-(3-cyanophenoxy)ethyl]-4-carbamoylbenzamide
- IUPAC
- 4-N-[2-(3-cyanophenoxy)ethyl]benzene-1,4-dicarboxamide
Names & synonyms
SCHEMBL3910408ZEKLBBOUPAJFAN-UHFFFAOYSA-NN-[2-(3-cyanophenoxy)ethyl]-4-carbamoylbenzamide
Database identifiers
- PubChem CID
- 68835528
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 463
Related reactions
2 records
Compound notes
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