Basic information
- CAS
349407-85-8- Standard SMILES
CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1- InChIKey
KKEFLNWGAYUVRC-UHFFFAOYSA-N- Molecular formula
- C17H17Cl2NO
- Average molar mass
- 322.2 g/mol
- Monoisotopic mass
- 321.0687196
Names & identifiers
- Preferred name
- 4-tert-butyl-N-(3,5-dichlorophenyl)benzamide
- IUPAC
- 4-tert-butyl-N-(3,5-dichlorophenyl)benzamide
- English name
- 4-tert-Butyl-N-(3,5-dichlorophenyl)benzamide
- Molecular formula
- C17H17Cl2NO
- Molecular weight
- 322.23
Names & synonyms
4-tert-butyl-N-(3,5-dichlorophenyl)benzamideCHEMBL4542749AKOS002941830ST50563084Benzamide, N-(3,5-dichlorophenyl)-4-(1,1-dimethylethyl)-
Database identifiers
- CAS
349407-85-8- PubChem CID
- 2732012
- ChEMBL
CHEMBL4542749- EC Number
- 140-786-3
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 361.409 · 361.409±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.452 · 12.452±0.70(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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