N-(1,1-dimethylpropynyl)3-chlorobenzamide
Basic information
- CAS
24911-16-8- Standard SMILES
C#CC(C)(C)NC(=O)c1cccc(Cl)c1- InChIKey
OYILNWHQGZEMJI-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO
- Average molar mass
- 221.68 g/mol
- Monoisotopic mass
- 221.0607417
Names & identifiers
- Preferred name
- N-(1,1-dimethylpropynyl)3-chlorobenzamide
- IUPAC
- 3-chloro-N-(2-methylbut-3-yn-2-yl)benzamide
Names & synonyms
SCHEMBL557636DTXSID901339982AKOS013321773N-(1,1-dimethylpropynyl)3-chlorobenzamide3-Chloro-N-(1,1-dimethyl-2-propyn-1-yl)benzamide24911-16-8
Database identifiers
- CAS
24911-16-8- PubChem CID
- 64005442
- DTXSID
DTXSID901339982
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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