4-fluoro-N,N-dipropylbenzamide

• ChemBase ID: 299853
• Molecular Formular: C13H18FNO
• Molecular Mass: 223.2865232
• Monoisotopic Mass: 223.13724242
• SMILES: CCCN(CCC)C(=O)c1ccc(cc1)F
• Canonical SMILES: CCCN(C(=O)c1ccc(cc1)F)CCC
• InChI: InChI=1S/C13H18FNO/c1-3-9-15(10-4-2)13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3
• InChIKey: ZBXBVFVGIWJDRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N,N-dipropylbenzamide
• IUPAC Traditional name: 4-fluoro-N,N-dipropylbenzamide
• Synonyms: N,N-Di-n-propyl-4-fluorobenzamide

Database IDs

• CAS Number: 349129-73-3
• MDL Number: MFCD01214149
• PubChem SID: 180685384
• PubChem CID: 3562583

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1726007
• LogD (pH = 7.4): 3.172601
• Log P: 3.172601
• Molar Refractivity: 63.6914 cm^3
• Polarizability: 23.863821 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%