Basic information
- CAS
674812-55-6- Standard SMILES
CCN1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1- InChIKey
ALGFHGCJNGAOGX-UHFFFAOYSA-N- Molecular formula
- C17H20ClN3O2
- Average molar mass
- 333.8 g/mol
- Monoisotopic mass
- 333.1244046
Names & identifiers
- Preferred name
- N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide
- IUPAC
- N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide
Names & synonyms
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide674812-55-6MLS001217804CHEMBL1423156N-[3-chloro-4-(4-ethyl-1-piperazinyl)phenyl]-2-furamideDTXSID301329890HMS2892L21STK893015AKOS000462727Furan-2-carboxylic acid [3-chloro-4-(4-ethyl-piperazin-1-yl)-phenyl]-amideSMR000612614ST50027332
Show more names
AP-970/42683305Z57003574N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2-furamideN-[3-chloro-4-(4-ethylpiperazinyl)phenyl]-2-furylcarboxamide
Database identifiers
- CAS
674812-55-6- PubChem CID
- 952829
- DTXSID
DTXSID301329890- ChEMBL
CHEMBL1423156
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 401
Experimental & physicochemical properties
Solubility45.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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