| Canonical Smiles | CN(C)C1=C(C=C(C=C1)N)C(=O)N |
|---|---|
| IUPAC Name | 5-amino-2-(dimethylamino)benzamide |
| InChIKey | VSDBOHMWRRGWRP-UHFFFAOYSA-N |
| INCHI | 1S/C9H13N3O/c1-12(2)8-4-3-6(10)5-7(8)9(11)13/h3-5H,10H2,1-2H3,(H2,11,13) |
| Isomeric SMILES | CN(C)C1=C(C=C(C=C1)N)C(=O)N |
| PubChem CID | 50851055 |
| Molecular Weight | 179.21 |
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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 | Benzamides |
| Direct Parent | Anthranilamides |
| Alternative Parents | 2-aminobenzamides Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Primary carboxylic acid amides Amino acids and derivatives Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzamide - Anthranilamide - Aminobenzoic acid or derivatives - 2-aminobenzamide - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Vinylogous amide - Amino acid or derivatives - Tertiary amine - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anthranilamides. These are aromatic compound containing a benzene carboxamide moiety that carries an amine group at the 2-position of the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 179.220 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 179.106 Da |
| Monoisotopic Mass | 179.106 Da |
| Topological Polar Surface Area | 72.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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 |
