5-[(2,5-dichlorophenoxy)methyl]-N-isopropyl-2-furamide
Basic information
- CAS
445254-64-8- Standard SMILES
CC(C)NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1- InChIKey
YQLVADFPWMSRRH-UHFFFAOYSA-N- Molecular formula
- C15H15Cl2NO3
- Average molar mass
- 328.2 g/mol
- Monoisotopic mass
- 327.0428987
Names & identifiers
- Preferred name
- 5-[(2,5-dichlorophenoxy)methyl]-N-isopropyl-2-furamide
- IUPAC
- 5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
- English name
- 5-[(2,5-dichlorophenoxy)methyl]-N-isopropyl-2-furamide
- Molecular formula
- C15H15Cl2NO3
- Molecular weight
- 328.1905
Names & synonyms
5-[(2,5-dichlorophenoxy)methyl]-N-isopropyl-2-furamideOprea1_087468MLS001198643CHEMBL1355160HMS2854K065-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamideAKOS001682737445254-64-8SMR000558821AK-968/14002657
Database identifiers
- CAS
445254-64-8- PubChem CID
- 891619
- ChEMBL
CHEMBL1355160
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 354
Experimental & physicochemical properties
Solubility2.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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