N,N'-Bis-(3-chloro-4-fluoro-phenyl)-terephthalamide
Basic information
- CAS
328262-30-2- Standard SMILES
O=C(Nc1ccc(F)c(Cl)c1)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1- InChIKey
FWLKUNWTBUQHRJ-UHFFFAOYSA-N- Molecular formula
- C20H12Cl2F2N2O2
- Average molar mass
- 421.2 g/mol
- Monoisotopic mass
- 420.0243893
Names & identifiers
- Preferred name
- N,N'-Bis-(3-chloro-4-fluoro-phenyl)-terephthalamide
- IUPAC
- 1-N,4-N-bis(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamide
- English name
- 1-N,4-N-bis(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamide
- Molecular formula
- C20H12Cl2F2N2O2
- Molecular weight
- 421.22
Names & synonyms
Oprea1_515032Oprea1_869620N,N'-Bis-(3-chloro-4-fluoro-phenyl)-terephthalamideSTL260991AKOS000673331ST011879N,N'-bis(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamideN~1~,N~4~-bis(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamideN-(3-chloro-4-fluorophenyl){4-[N-(3-chloro-4-fluorophenyl)carbamoyl]phenyl}car boxamide1,4-Benzenedicarboxamide, N1,N4-bis(3-chloro-4-fluorophenyl)-1-N,4-N-bis(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamide
Database identifiers
- CAS
328262-30-2- PubChem CID
- 984625
- EC Number
- 163-673-0
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Boiling point
- 427 · 427.0±45.0 °C(Predicted)
- Density
- 1.507 · 1.507±0.06 g/cm3(Predicted)
- pka
- 10.82 · 10.82±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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