≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(=O)NC1=CC=C(C=C1)C2CN(CC2C(=O)C3=CC=C(C=C3)Cl)C |
|---|---|
| IUPAC Name | N-[4-[4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]phenyl]acetamide |
| InChIKey | XGHOWVUWSUQUJX-UHFFFAOYSA-N |
| INCHI | 1S/C20H21ClN2O2/c1-13(24)22-17-9-5-14(6-10-17)18-11-23(2)12-19(18)20(25)15-3-7-16(21)8-4-15/h3-10,18-19H,11-12H2,1-2H3,(H,22,24) |
| Isomeric SMILES | CC(=O)NC1=CC=C(C=C1)C2CN(CC2C(=O)C3=CC=C(C=C3)Cl)C |
| PubChem CID | 3541119 |
| Molecular Weight | 356.85 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phenylpyrrolidines Acetanilides N-acetylarylamines Aryl alkyl ketones Benzoyl derivatives Aralkylamines Chlorobenzenes Aryl chlorides Beta-amino ketones Gamma-amino ketones N-alkylpyrrolidines Acetamides Pyrroles Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - 3-phenylpyrrolidine - Acetanilide - N-acetylarylamine - Anilide - N-arylamide - Aryl alkyl ketone - Benzoyl - Halobenzene - Chlorobenzene - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Aryl halide - Beta-aminoketone - Aryl chloride - Gamma-aminoketone - Monocyclic benzene moiety - Pyrrolidine - Acetamide - Pyrrole - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 356.800 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 356.129 Da |
| Monoisotopic Mass | 356.129 Da |
| Topological Polar Surface Area | 49.400 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 482.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![N-{4-[4-(4-chlorobenzoyl)-1-methyltetrahydro-1H-pyrrol-3-yl]phenyl}acetamide - ≥90% , CAS No.478050-13-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)