| Canonical Smiles | CN(C)C(=O)C1=CC=C(O1)CCl |
|---|---|
| IUPAC Name | 5-(chloromethyl)-N,N-dimethylfuran-2-carboxamide |
| InChIKey | VKDNRIDKLNGXIB-UHFFFAOYSA-N |
| INCHI | 1S/C8H10ClNO2/c1-10(2)8(11)7-4-3-6(5-9)12-7/h3-4H,5H2,1-2H3 |
| Molecular Weight | 187.62 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid amides |
| Direct Parent | 2-heteroaryl carboxamides |
| Alternative Parents | Furoic acid and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Oxacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-heteroaryl carboxamide - Furoic acid or derivatives - Furan - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl chloride - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group. |
| External Descriptors | Not available |
| Molecular Weight | 187.620 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 187.04 Da |
| Monoisotopic Mass | 187.04 Da |
| Topological Polar Surface Area | 33.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 172.000 |
| 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 |
