| Canonical Smiles | C1=CC(=C(C=C1I)C(=O)N)N |
|---|---|
| IUPAC Name | 2-amino-5-iodobenzamide |
| InChIKey | ZUFQMRDGVYDVAF-UHFFFAOYSA-N |
| INCHI | 1S/C7H7IN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11) |
| Isomeric SMILES | C1=CC(=C(C=C1I)C(=O)N)N |
| Alternate CAS | 32658-67-6 |
| PubChem CID | 208633 |
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 | Benzamides |
| Direct Parent | Anthranilamides |
| Alternative Parents | 3-halobenzoic acids and derivatives 2-aminobenzamides Benzoyl derivatives Aniline and substituted anilines Iodobenzenes Aryl iodides Vinylogous amides Primary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzamide - Anthranilamide - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-aminobenzamide - Benzoyl - Aniline or substituted anilines - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Vinylogous amide - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Organohalogen compound - Organoiodide - Organonitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Primary amine - 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 | 262.050 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 261.96 Da |
| Monoisotopic Mass | 261.96 Da |
| Topological Polar Surface Area | 69.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
