N-(2-Furanylmethyl)-4-methylbenzamide
Basic information
- CAS
199443-19-1- Standard SMILES
Cc1ccc(C(=O)NCc2ccco2)cc1- InChIKey
BJNKXNBPVDNGMF-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- N-(2-Furanylmethyl)-4-methylbenzamide
- IUPAC
- N-(furan-2-ylmethyl)-4-methylbenzamide
- English name
- N-(furan-2-ylmethyl)-4-methylbenzamide
- Molecular formula
- C13H13NO2
- Molecular weight
- 215.25
Names & synonyms
N-(2-Furanylmethyl)-4-methylbenzamide199443-19-1RefChem:360733N-(furan-2-ylmethyl)-4-methylbenzamideN-(2-furylmethyl)-4-methylbenzamideN-[(FURAN-2-YL)METHYL]-4-METHYLBENZAMIDEN-Furan-2-ylmethyl-4-methyl-benzamideCBMicro_019484Cambridge id 5362032Oprea1_439173Oprea1_532057SCHEMBL95374
Show more names
N-FURFURYL-4-METHYLBENZAMIDEBenzamide, N-(2-furanylmethyl)-4-methyl-
MLS001204540SCHEMBL6023593CHEMBL1484061DTXSID301286050HMS2837E14CCG-7386STK179297AKOS000374054
Database identifiers
- CAS
199443-19-1- PubChem CID
- 674887
- DTXSID
DTXSID301286050- ChEMBL
CHEMBL1484061
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
Solubility>32.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 397.1 · 397.1±35.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 14.15 · 14.15±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…