3-(3,4-dichlorophenyl)-N-isopropyl-4,5-dihydro-5-isoxazolecarboxamide
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Basic information
- CAS
725696-99-1- Standard SMILES
CC(C)NC(=O)C1CC(c2ccc(Cl)c(Cl)c2)=NO1- InChIKey
VBZAOZYYNITHDH-UHFFFAOYSA-N- Molecular formula
- C13H14Cl2N2O2
- Average molar mass
- 301.16 g/mol
- Monoisotopic mass
- 300.0432331
Names & identifiers
- Preferred name
- 3-(3,4-dichlorophenyl)-N-isopropyl-4,5-dihydro-5-isoxazolecarboxamide
- IUPAC
- 3-(3,4-dichlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
- English name
- 3-(3,4-dichlorophenyl)-N-isopropyl-4,5-dihydro-5-isoxazolecarboxamide
- Molecular formula
- C13H14Cl2N2O2
- Molecular weight
- 301.16846
Names & synonyms
3-(3,4-dichlorophenyl)-N-isopropyl-4,5-dihydro-5-isoxazolecarboxamideBAS 095288833-(3,4-dichlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamideAKOS000556088AKOS022062854ST063503AN-329/43211357SR-01000368156SR-01000368156-1[3-(3,4-dichlorophenyl)(4,5-dihydroisoxazol-5-yl)]-N-(methylethyl)carboxamide
Database identifiers
- CAS
725696-99-1- PubChem CID
- 3158057
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 374
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