Basic information
- CAS
69489-60-7- Standard SMILES
N#Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)cc1- InChIKey
FGHQBYHTCOSPMT-UHFFFAOYSA-N- Molecular formula
- C22H14N4O2
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.1116757
Names & identifiers
- Preferred name
- 1-N,4-N-bis(4-cyanophenyl)benzene-1,4-dicarboxamide
- IUPAC
- 1-N,4-N-bis(4-cyanophenyl)benzene-1,4-dicarboxamide
Names & synonyms
69489-60-7n,n/'-Bis(4-cyanophenyl)terephthalamide1-N,4-N-bis(4-cyanophenyl)benzene-1,4-dicarboxamideNSC73449n,n//'-Bis(4-cyanophenyl)terephthalamideOprea1_477587CHEMBL188883SCHEMBL6263516DTXSID50989437NSC-73449STK124093AKOS000494694
Show more names
N~1~,N~4~-bis(4-cyanophenyl)terephthalamideAN-329/14789042N,N'-bis(4-cyanophenyl)benzene-1,4-dicarboxamideSR-01000230346SR-01000230346-1N~1~,N~4~-Bis(4-cyanophenyl)benzene-1,4-dicarboximidic acid
Database identifiers
- CAS
69489-60-7- PubChem CID
- 252146
- DTXSID
DTXSID50989437- ChEMBL
CHEMBL188883
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 591
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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