Basic information
- CAS
289059-88-7- Standard SMILES
O=C(COc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1- InChIKey
NRKMGDQWAVWEME-UHFFFAOYSA-N- Molecular formula
- C21H16ClNO3
- Average molar mass
- 365.8 g/mol
- Monoisotopic mass
- 365.0818711
Names & identifiers
- Preferred name
- N-(2-benzoyl-4-chlorophenyl)-2-phenoxyacetamide
- IUPAC
- N-(2-benzoyl-4-chlorophenyl)-2-phenoxyacetamide
- English name
- N-(2-benzoyl-4-chlorophenyl)-2-phenoxyacetamide
- Molecular formula
- C21H16ClNO3
- Molecular weight
- 365.81
Names & synonyms
N-(2-benzoyl-4-chlorophenyl)-2-phenoxyacetamide289059-88-7N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-phenoxyacetamideCBMicro_032440Oprea1_170974Oprea1_836213MLS000567598N-(2-Benzoyl-4-chloro-phenyl)-2-phenoxy-acetamideCHEMBL1372342HMS2581C08STK031704AKOS000534253
Show more names
Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-phenoxy-
SMR000175501BIM-0032626.P001ST50184277AN-652/11380203
Database identifiers
- CAS
289059-88-7- PubChem CID
- 1019206
- ChEMBL
CHEMBL1372342
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- Boiling point
- 614.2 · 614.2±55.0 °C(Predicted)
- Density
- 1.301 · 1.301±0.06 g/cm3(Predicted)
- pka
- 12.05 · 12.05±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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