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Basic Description
| Synonyms | Benzeneacetamide,N-[3-(trifluoromethyl)phenyl]- | 2-Phenyl-N-(3-(trifluoromethyl)phenyl)acetamide | 3/'-Trifluoromethyl-2-phenylacetanilide | CS-0324072 | DTXSID60173002 | NSC 205448 | AK-968/05797015 | 3'-(Trifluoromethyl)-2-phenylacetanilide | FT-061641 |
|---|---|
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Phenylacetamides Anilides N-arylamides Secondary carboxylic acid amides Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Phenylacetamide - Anilide - N-arylamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
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Names and Identifiers
| IUPAC Name | 2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide |
|---|---|
| INCHI | InChI=1S/C15H12F3NO/c16-15(17,18)12-7-4-8-13(10-12)19-14(20)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,20) |
| InChIKey | AWZJXXWDKOAELM-UHFFFAOYSA-N |
| Smiles | C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F |
| Isomeric SMILES | C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F |
| PubChem CID | 137261 |
| Molecular Weight | 279.264 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 279.260 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 279.087 Da |
| Monoisotopic Mass | 279.087 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 324.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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