4-Chloro-N-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
Basic information
- CAS
61955-34-8- Standard SMILES
C#CC(C)(C)N(C)C(=O)c1ccc(Cl)cc1- InChIKey
BJWBHSHUQFGFAV-UHFFFAOYSA-N- Molecular formula
- C13H14ClNO
- Average molar mass
- 235.71 g/mol
- Monoisotopic mass
- 235.0763918
Names & identifiers
- Preferred name
- 4-Chloro-N-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
- IUPAC
- 4-chloro-N-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
Names & synonyms
4-Chloro-N-methyl-N-(2-methylbut-3-yn-2-yl)benzamide61955-34-8SCHEMBL11865518DTXSID80614886
Database identifiers
- CAS
61955-34-8- PubChem CID
- 21494571
- DTXSID
DTXSID80614886
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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