Basic information
- CAS
890602-03-6- Standard SMILES
Cc1ccc(NC(=O)CCc2ccc(C)o2)c(Br)c1- InChIKey
UBZVNXILWWDCGM-UHFFFAOYSA-N- Molecular formula
- C15H16BrNO2
- Average molar mass
- 322.2 g/mol
- Monoisotopic mass
- 321.03644
Names & identifiers
- Preferred name
- N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide
- IUPAC
- N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide
Names & synonyms
N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide890602-03-6F3207-0011MLS001163011CHEMBL1574983DTXSID201328649HMS1601L16HMS2846M05SMSSF-0054611STL019425AKOS002238930SMR000498546
Show more names
ST50327374VU0513206-1N-(2-bromo-4-tolyl)3-(5-methyl-2-furyl)propionamideN-(2-bromo-4-methylphenyl)-3-(5-methyl(2-furyl))propanamideN-(2-bromo-4-methylphenyl)-3-(5-methyl-2-furyl)propanamide
Database identifiers
- CAS
890602-03-6- PubChem CID
- 2987393
- DTXSID
DTXSID201328649- ChEMBL
CHEMBL1574983
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Experimental & physicochemical properties
Solubility4.2 [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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