2-bromo-N-propylbenzamide

• ChemBase ID: 310757
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: c1(C(=O)NCCC)c(Br)cccc1
• Canonical SMILES: CCCNC(=O)c1ccccc1Br
• InChI: InChI=1S/C10H12BrNO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3,(H,12,13)
• InChIKey: XNIZYPMLUVRLJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-propylbenzamide
• IUPAC Traditional name: 2-bromo-N-propylbenzamide
• Synonyms: 2-bromo-N-propylbenzamide

Database IDs

• CAS Number: 346695-08-7
• MDL Number: MFCD01212206

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.695645
• LogD (pH = 7.4): 2.6956449
• Log P: 2.695645
• Molar Refractivity: 56.9285 cm^3
• Polarizability: 21.479198 Å^3
• Polar Surface Area: 29.1 Å^2