2,2,2-trichloro-N-[4-[[4-[(2,2,2-trichloroacetyl)amino]phenyl]methyl]phenyl]acetamide
Basic information
- CAS
550299-55-3- Standard SMILES
O=C(Nc1ccc(Cc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)cc1)C(Cl)(Cl)Cl- InChIKey
MLNPDJDHIJDQLG-UHFFFAOYSA-N- Molecular formula
- C17H12Cl6N2O2
- Average molar mass
- 489 g/mol
- Monoisotopic mass
- 485.902994
Names & identifiers
- Preferred name
- 2,2,2-trichloro-N-[4-[[4-[(2,2,2-trichloroacetyl)amino]phenyl]methyl]phenyl]acetamide
- IUPAC
- 2,2,2-trichloro-N-[4-[[4-[(2,2,2-trichloroacetyl)amino]phenyl]methyl]phenyl]acetamide
- English name
- N,N'-(4,4'-Methylenebis(4,1-phenylene))bis(2,2,2-trichloroacetaMide)
- Molecular formula
- C17H12Cl6N2O2
- Molecular weight
- 489.01
Names & synonyms
550299-55-3N,N'-(Methylenebis(4,1-phenylene))bis(2,2,2-trichloroacetamide)N,N'-(4,4'-methylenebis(4,1-phenylene))bis(2,2,2-trichloroacetamide)2,2,2-trichloro-N-[4-[[4-[(2,2,2-trichloroacetyl)amino]phenyl]methyl]phenyl]acetamideC17H12Cl6N2O2CHEMBL477681SCHEMBL22485592DTXSID601180021CS-M0801MFCD00222054AKOS0038901402,2,2-Trichloro-N-(4-(4-(2,2,2-trichloro-acetylamino)-benzyl)-phenyl)-acetamide
Show more names
N,N-(methylenebis(4,1-phenylene))bis(2,2,2-trichloroacetamide)Acetamide, N,N'-(methylenedi-4,1-phenylene)bis[2,2,2-trichloro-
CS-14320ST50997132N,N'-[Methylenedi(4,1-phenylene)]bis(2,2,2-trichloroacetamide)N,Na(2)-(Methylenedi-4,1-phenylene)bis[2,2,2-trichloroacetamide]2,2,2-trichloro-N-(4-{[4-(2,2,2-trichloroacetylamino)phenyl]methyl}phenyl)acet amide
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- Boiling point
- 590.8 · 590.8±50.0 °C(Predicted)
- Density
- 1.611 · 1.611±0.06 g/cm3(Predicted)
- pka
- 10.14 · 10.14±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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