3-Amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide
Basic information
- CAS
771522-84-0- Standard SMILES
NC(=O)CC(N)c1ccc(-c2ccc(Cl)c(Cl)c2)o1- InChIKey
SPQUYMLJJZOYKX-UHFFFAOYSA-N- Molecular formula
- C13H12Cl2N2O2
- Average molar mass
- 299.15 g/mol
- Monoisotopic mass
- 298.027583
Names & identifiers
- Preferred name
- 3-Amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide
- IUPAC
- 3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide
- English name
- 3-Amino-3-[5-(3,4-dichlorophenyl)-furan-2-yl]-propionic acid amide
- Molecular formula
- C13H12Cl2N2O2
- Molecular weight
- 299.15
Names & synonyms
771522-84-03-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide3-Amino-3-(5-(3,4-dichlorophenyl)furan-2-yl)propanamideDTXSID90703750RARECHEM AL BZ 07902-Furanpropanamide, β-amino-5-(3,4-dichlorophenyl)-3-Amino-3-[5-(3,4-dichlorophenyl)-furan-2-yl]-propionic acid amide
Database identifiers
- CAS
771522-84-0- PubChem CID
- 53471787
- DTXSID
DTXSID90703750
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 496.3 · 496.3±45.0 °C(Predicted)
- Density
- 1.385 · 1.385±0.06 g/cm3(Predicted)
- pka
- 16.13 · 16.13±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…