| Canonical Smiles | CNC(=O)C1=C(C=CC(=C1)N)Cl.Cl |
|---|---|
| IUPAC Name | 5-amino-2-chloro-N-methylbenzamide;hydrochloride |
| InChIKey | ALTZCBCZKRPCIX-UHFFFAOYSA-N |
| INCHI | 1S/C8H9ClN2O.ClH/c1-11-8(12)6-4-5(10)2-3-7(6)9;/h2-4H,10H2,1H3,(H,11,12);1H |
| Isomeric SMILES | CNC(=O)C1=C(C=CC(=C1)N)Cl.Cl |
| PubChem CID | 45791630 |
| Molecular Weight | 221.08 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Aminobenzoic acids and derivatives |
| Direct Parent | Aminobenzamides |
| Alternative Parents | 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Aniline and substituted anilines Chlorobenzenes Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organooxygen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzamide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Aniline or substituted anilines - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrochloride - Amine - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 221.080 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 220.017 Da |
| Monoisotopic Mass | 220.017 Da |
| Topological Polar Surface Area | 55.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 174.000 |
| 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 | 2 |
