6-(3-Chloro-phenyl)-pyridine-2-carboxylic acid (1-ethyl-1-hydroxymethyl-propyl)-amide
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Basic information
- Standard SMILES
CCC(CC)(CO)NC(=O)c1cccc(-c2cccc(Cl)c2)n1- InChIKey
BASCNUVYXSKMDC-UHFFFAOYSA-N- Molecular formula
- C18H21ClN2O2
- Average molar mass
- 332.8 g/mol
Names & identifiers
- Preferred name
- 6-(3-Chloro-phenyl)-pyridine-2-carboxylic acid (1-ethyl-1-hydroxymethyl-propyl)-amide
- IUPAC
- 6-(3-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
Names & synonyms
CHEMBL3915066SCHEMBL14167510BASCNUVYXSKMDC-UHFFFAOYSA-NBDBM210194US9290451, 296-(3-Chloro-phenyl)-pyridine-2-carboxylic acid (1-ethyl-1-hydroxymethyl-propyl)-amide
Database identifiers
- PubChem CID
- 71093643
- ChEMBL
CHEMBL3915066
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Related reactions
3 records
Compound notes
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