Basic information
- CAS
346719-81-1- Standard SMILES
CCC(C)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1- InChIKey
KBPRDEZYMSWXKE-UHFFFAOYSA-N- Molecular formula
- C17H17Cl2NO
- Average molar mass
- 322.2 g/mol
- Monoisotopic mass
- 321.0687196
Names & identifiers
- Preferred name
- N-[4-(butan-2-yl)phenyl]-2,4-dichlorobenzamide
- IUPAC
- N-(4-butan-2-ylphenyl)-2,4-dichlorobenzamide
- English name
- N-[4-(butan-2-yl)phenyl]-2,4-dichlorobenzamide
- Molecular formula
- C17H17Cl2NO
- Molecular weight
- 322.23
Names & synonyms
N-[4-(butan-2-yl)phenyl]-2,4-dichlorobenzamideN-(4-sec-Butyl-phenyl)-2,4-dichloro-benzamideSTK042881AKOS000579092AKOS021774375ST50683592(2,4-dichlorophenyl)-N-[4-(methylpropyl)phenyl]carboxamideBenzamide, 2,4-dichloro-N-[4-(1-methylpropyl)phenyl]-
Database identifiers
- CAS
346719-81-1- PubChem CID
- 3111237
- EC Number
- 141-281-0
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Boiling point
- 376.3 · 376.3±42.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- pka
- 12.14 · 12.14±0.70(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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