Basic information
- CAS
307540-63-2- Standard SMILES
Cc1ccc(CCC(=O)Nc2ccc(Cl)cc2)o1- InChIKey
KTSCRLVWGYIJDL-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO2
- Average molar mass
- 263.72 g/mol
- Monoisotopic mass
- 263.0713064
Names & identifiers
- Preferred name
- N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide
- IUPAC
- N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide
Names & synonyms
N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide307540-63-2CBMicro_041151Cambridge id 6030373Oprea1_683785MLS001206523CHEMBL1562529KTSCRLVWGYIJDL-UHFFFAOYSA-NDTXSID601328653HMS2816N14N-(4-Chloro-phenyl)-3-(5-methyl-furan-2-yl)-propionamideSTK762958
Show more names
AKOS000569508SMR000517003BIM-0041177.P001ST4056138EU-0040403SR-01000453225SR-01000453225-1N-(4-chlorophenyl)-3-(5-methyl(2-furyl))propanamide
Database identifiers
- CAS
307540-63-2- PubChem CID
- 565664
- DTXSID
DTXSID601328653- ChEMBL
CHEMBL1562529
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Experimental & physicochemical properties
Solubility23.9 [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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