3,4-dichloro-N-propylbenzamide
Basic information
- CAS
16505-79-6- Standard SMILES
CCCNC(=O)c1ccc(Cl)c(Cl)c1- InChIKey
JGGLHTRYIITBNL-UHFFFAOYSA-N- Molecular formula
- C10H11Cl2NO
- Average molar mass
- 232.1 g/mol
- Monoisotopic mass
- 231.0217694
Names & identifiers
- Preferred name
- 3,4-dichloro-N-propylbenzamide
- IUPAC
- 3,4-dichloro-N-propylbenzamide
- English name
- Benzamide,3,4-dichloro-N-propyl-
- Molecular formula
- C10H11Cl2NO
- Molecular weight
- 232.11
Names & synonyms
3,4-dichloro-N-propylbenzamide16505-79-6DTXSID70323859RefChem:270857DTXCID502749763,4-Dichloro-N-propyl-benzamideNSC405013MLS000523600CHEMBL1603805SCHEMBL13753103HMS2354F12STK096145
Show more names
Benzamide,3,4-dichloro-N-propyl-
AKOS000675660NSC-405013(3,4-dichlorophenyl)-N-propylcarboxamideSMR000122673ST50300741I75593AK-968/11568437SR-01000357844
Database identifiers
- CAS
16505-79-6- PubChem CID
- 346715
- DTXSID
DTXSID70323859- ChEMBL
CHEMBL1603805
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 331.6 · 331.6±32.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 13.8 · 13.80±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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