N-[(4-fluorophenyl)methyl]-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

• ChemBase ID: 217915
• Molecular Formular: C23H23FN4O3
• Molecular Mass: 422.4521232
• Monoisotopic Mass: 422.17541884
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NCc1ccc(F)cc1)CCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(NCc1ccc(cc1)F)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C23H23FN4O3/c24-17-7-5-15(6-8-17)13-26-21(29)10-9-20-22(30)28(23(31)27-20)12-11-16-14-25-19-4-2-1-3-18(16)19/h1-8,14,20,25H,9-13H2,(H,26,29)(H,27,31)/t20-/m0/s1
• InChIKey: SMVSQKBDZDDHAV-FQEVSTJZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-fluorophenyl)methyl]-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
• IUPAC Traditional name: N-[(4-fluorophenyl)methyl]-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

Database IDs

• PubChem SID: 164273825
• PubChem CID: 16407904

CALCULATED PROPERTIES

• Acid pKa: 11.855147
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.3848736
• LogD (pH = 7.4): 2.3848588
• Log P: 2.3848739
• Molar Refractivity: 113.2291 cm^3
• Polarizability: 44.252457 Å^3
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds