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

• ChemBase ID: 218152
• Molecular Formular: C22H21ClN4O3
• Molecular Mass: 424.88014
• Monoisotopic Mass: 424.13021823
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)Nc1ccc(Cl)cc1)CCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(Nc1ccc(cc1)Cl)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C22H21ClN4O3/c23-15-5-7-16(8-6-15)25-20(28)10-9-19-21(29)27(22(30)26-19)12-11-14-13-24-18-4-2-1-3-17(14)18/h1-8,13,19,24H,9-12H2,(H,25,28)(H,26,30)/t19-/m0/s1
• InChIKey: URSCUAJYAUNGJI-IBGZPJMESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274062
• PubChem CID: 16408130

CALCULATED PROPERTIES

• Acid pKa: 11.552009
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 3.1393116
• LogD (pH = 7.4): 3.1392817
• Log P: 3.139312
• Molar Refractivity: 114.7633 cm^3
• Polarizability: 44.606236 Å^3
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds