2-amino-N-[(4-fluorophenyl)methyl]benzamide

• ChemBase ID: 312087
• Molecular Formular: C14H13FN2O
• Molecular Mass: 244.2642232
• Monoisotopic Mass: 244.10119127
• SMILES: c1(C(=O)NCc2ccc(F)cc2)c(N)cccc1
• Canonical SMILES: Fc1ccc(cc1)CNC(=O)c1ccccc1N
• InChI: InChI=1S/C14H13FN2O/c15-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)16/h1-8H,9,16H2,(H,17,18)
• InChIKey: VILBQFBHVKCQIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[(4-fluorophenyl)methyl]benzamide
• IUPAC Traditional name: 2-amino-N-[(4-fluorophenyl)methyl]benzamide
• Synonyms: 2-amino-N-(4-fluorobenzyl)benzamide

Database IDs

• CAS Number: 827006-84-8
• MDL Number: MFCD06623728

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7352238
• LogD (pH = 7.4): 2.7358038
• Log P: 2.7358112
• Molar Refractivity: 69.5625 cm^3
• Polarizability: 25.392252 Å^3
• Polar Surface Area: 55.12 Å^2