2-(7-Chloro-5-methyl-1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)acetamide
Basic information
- CAS
100695-72-5- Standard SMILES
Cc1cc(Cl)c2onc(CC(=O)NC(C)(C)c3ccccc3)c2c1- InChIKey
JNWDZICXTUMATL-UHFFFAOYSA-N- Molecular formula
- C19H19ClN2O2
- Average molar mass
- 342.8 g/mol
- Monoisotopic mass
- 342.1135055
Names & identifiers
- Preferred name
- 2-(7-Chloro-5-methyl-1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)acetamide
- IUPAC
- 2-(7-chloro-5-methyl-1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)acetamide
Names & synonyms
100695-72-52-(7-Chloro-5-methyl-1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)acetamideDTXSID209056691,2-Benzisoxazole-3-acetamide, 7-chloro-5-methyl-N-(1-methyl-1-phenylethyl)-(7-Chloro-5-methyl-1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanimidic acid2-(7-Chloro-5-methyl-1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanimidic acid
Database identifiers
- CAS
100695-72-5- PubChem CID
- 180907
- DTXSID
DTXSID20905669
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 451
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Compound notes
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