4-fluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyridin-2-yl)benzamide

• ChemBase ID: 128463
• Molecular Formular: C25H27FN4O2
• Molecular Mass: 434.5058832
• Monoisotopic Mass: 434.21180434
• SMILES: COc1ccccc1N1CCN(CC1)CCN(c1ccccn1)C(=O)c1ccc(cc1)F
• Canonical SMILES: COc1ccccc1N1CCN(CC1)CCN(C(=O)c1ccc(cc1)F)c1ccccn1
• InChI: InChI=1S/C25H27FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19H2,1H3
• InChIKey: YJZYDPRMWYWYCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyridin-2-yl)benzamide
• IUPAC Traditional name: MPPF
• Synonyms: MPPF

Database IDs

• CAS Number: 155204-26-5
• PubChem SID: 162222770
• PubChem CID: 6603915
• Wikipedia Title: MPPF

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.8806622
• LogD (pH = 7.4): 3.978538
• Log P: 4.047897
• Molar Refractivity: 124.1113 cm^3
• Polarizability: 46.79169 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true