N,N'-bis[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
Basic information
- CAS
181872-45-7- Standard SMILES
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1- InChIKey
DURPXWZRZMKBPA-UHFFFAOYSA-N- Molecular formula
- C22H14F6N2O2
- Average molar mass
- 452.3 g/mol
- Monoisotopic mass
- 452.09594667
Names & identifiers
- Preferred name
- N,N'-bis[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
- IUPAC
- 1-N,3-N-bis[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
- English name
- N,N'-Bis-(3-trifluoromethyl-phenyl)-isophthalamide
- Molecular formula
- C22H14F6N2O2
- Molecular weight
- 452.35
Names & synonyms
N,N'-bis[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamideNSC164152CHEMBL1532429DURPXWZRZMKBPA-UHFFFAOYSA-NHMS1795G14STL260554AKOS001604133NSC-164152NCGC00098304-01ST50682412N,N'-bis[3-(trifluoromethyl)phenyl]isophthalamideSR-01000406941
Show more names
1,3-Benzenedicarboxamide, N1,N3-bis[3-(trifluoromethyl)phenyl]-
SR-01000406941-1N,N'-BIS-(3-TRIFLUOROMETHYL-PHENYL)-ISOPHTHALAMIDEN~1~,N~3~-bis[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamideN-[3-(trifluoromethyl)phenyl](3-{N-[3-(trifluoromethyl)phenyl]carbamoyl}phenyl )carboxamide
Database identifiers
- CAS
181872-45-7- PubChem CID
- 294997
- ChEMBL
CHEMBL1532429- EC Number
- 163-668-3
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 612
Physicochemical properties
- Boiling point
- 396.367 · 396.367±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.168 · 12.168±0.70(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…