4-Chloro-N-(hexan-2-yl)benzamide
Basic information
- CAS
7461-46-3- Standard SMILES
CCCCC(C)NC(=O)c1ccc(Cl)cc1- InChIKey
RDKOBZHORIPHSA-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO
- Average molar mass
- 239.74 g/mol
- Monoisotopic mass
- 239.1076919
Names & identifiers
- Preferred name
- 4-Chloro-N-(hexan-2-yl)benzamide
- IUPAC
- 4-chloro-N-hexan-2-ylbenzamide
Names & synonyms
7461-46-3NSC 4049984-Chloro-N-(hexan-2-yl)benzamideNSC404998DTXSID90323851NSC-404998
Database identifiers
- CAS
7461-46-3- PubChem CID
- 346702
- DTXSID
DTXSID90323851
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
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Compound notes
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