N,N'-Bis-(3,5-dimethyl-phenyl)-isophthalamide
Basic information
- CAS
134023-21-5- Standard SMILES
Cc1cc(C)cc(NC(=O)c2cccc(C(=O)Nc3cc(C)cc(C)c3)c2)c1- InChIKey
ZNMCNLLDEZARFB-UHFFFAOYSA-N- Molecular formula
- C24H24N2O2
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.18377801
Names & identifiers
- Preferred name
- N,N'-Bis-(3,5-dimethyl-phenyl)-isophthalamide
- IUPAC
- 1-N,3-N-bis(3,5-dimethylphenyl)benzene-1,3-dicarboxamide
- English name
- N,N'-Bis-(3,5-dimethyl-phenyl)-isophthalamide
- Molecular formula
- C24H24N2O2
- Molecular weight
- 372.46
Names & synonyms
N,N'-Bis-(3,5-dimethyl-phenyl)-isophthalamideOprea1_215159Oprea1_703335CHEMBL243751HMS1798A12STL260557AKOS000670672NCGC00099320-01ST011856EU-0009833AG-690/11632190N~1~,N~3~-bis(3,5-dimethylphenyl)isophthalamide
Show more names
1,3-Benzenedicarboxamide, N1,N3-bis(3,5-dimethylphenyl)-
SR-01000477920SR-01000477920-1N,N'-bis(3,5-dimethylphenyl)benzene-1,3-dicarboxamideN~1~,N~3~-bis(3,5-dimethylphenyl)benzene-1,3-dicarboxamideN-(3,5-dimethylphenyl){3-[N-(3,5-dimethylphenyl)carbamoyl]phenyl}carboxamide
Database identifiers
- CAS
134023-21-5- PubChem CID
- 984613
- ChEMBL
CHEMBL243751- EC Number
- 163-643-7
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 483
Physicochemical properties
- Boiling point
- 436.514 · 436.514±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.737 · 12.737±0.70(predicted)
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Compound notes
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