Basic information
- CAS
32808-59-6- Standard SMILES
CC(C)c1ccc(CCCC(N)=O)cc1Cl- InChIKey
TWLKBPUFISPONY-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO
- Average molar mass
- 239.74 g/mol
- Monoisotopic mass
- 239.1076919
Names & identifiers
- Preferred name
- Benzenebutanamide, 3-chloro-4-(1-methylethyl)-
- IUPAC
- 4-(3-chloro-4-propan-2-ylphenyl)butanamide
Names & synonyms
CB 875Benzenebutanamide, 3-chloro-4-(1-methylethyl)-32808-59-6BRN 22680533-Chloro-4-(1-methylethyl)benzenebutanamide(Isopropyl-4 chloro-3 phenyl)-4 butyramide [French](Isopropyl-4 chloro-3 phenyl)-4 butyramideDTXSID10186480RefChem:324360DTXCID201089714-[3-chloro-4-(propan-2-yl)phenyl]butanamide
Database identifiers
- CAS
32808-59-6- PubChem CID
- 208673
- DTXSID
DTXSID10186480
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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