N-(4-fluorobenzyl)-2-(1H-indol-3-yl)-2-oxoacetamide

Base Information

• Chemical Name: N-(4-fluorobenzyl)-2-(1H-indol-3-yl)-2-oxoacetamide
• CAS No.: 185391-33-7
• Molecular Formula: C17H13FN2O2
• Molecular Weight: 296.29600
• DSSTox Substance ID: DTXSID60878106
• Nikkaji Number: J1.602.971H
• Wikidata: Q82860057
• ChEMBL ID: CHEMBL127135
• Mol file: 185391-33-7.mol

Synonyms:185391-33-7;TCS 1105;N-(4-fluorobenzyl)-2-(1H-indol-3-yl)-2-oxoacetamide;TCS1105;N-[(-4-Fluorophenyl)methyl]-alpha-oxo-1H-indole-3-acetamide;N-[(4-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide;CHEMBL127135;SCHEMBL22026691;DTXSID60878106;VWCCHJFFYCGXFL-UHFFFAOYSA-N;BDBM50055244;STK710803;AKOS001869506;WAY-270248;NCGC00370973-01;HY-103511;1H-Indole-3-acetamide, N-[(4-MeO-Ph)Me]-al;AB00671849-01;SR-01000302066;J-011896;SR-01000302066-1;F0675-0088;N-(4-Fluoro-benzyl)-2-(1H-indol-3-yl)-2-oxo-acetamide;N-[(-4-Fluorophenyl)methyl]-?-oxo-1H-indole-3-acetamide;N-[(4-Fluorophenyl)methyl]-alpha-oxo-1H-indole-3-acetamide;N-((-4-FLUOROPHENYL)METHYL)-a-OXO-1H-INDOLE-3-ACETAMIDE

Chemical Property of N-(4-fluorobenzyl)-2-(1H-indol-3-yl)-2-oxoacetamide

Chemical Property:

• PKA: 11.49±0.46(Predicted)
• PSA: 61.96000
• Density: 1.342±0.06 g/cm3(Predicted)
• LogP: 3.19700
• Storage Temp.: Store at RT
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 296.09610582
• Heavy Atom Count: 22
• Complexity: 421

Purity/Quality:

≥99% by HPLC ^*data from raw suppliers

TCS 1105 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NCC3=CC=C(C=C3)F