870981-52-5
2-[2-BROMO-4-(HYDROXYMETHYL)-6-METHOXYPHENOXY]-N-(4-FLUOROPHENYL)-ACETAMIDE
Name2-[2-BROMO-4-(HYDROXYMETHYL)-6-METHOXYPHENOXY]-N-(4-FLUOROPHENYL)-ACETAMIDE
pro_formulaC16 H15 Br F N O4
1Identification
【Name】
2-[2-BROMO-4-(HYDROXYMETHYL)-6-METHOXYPHENOXY]-N-(4-FLUOROPHENYL)-ACETAMIDE
【CAS】
【MDL】
MFCD09754789
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H15 Br F N O4
【pro_molWeight】
384.199
【Inchi】
InChI=1S/C16H15BrFNO4/c1-22-14-7-10(8-20)6-13(17)16(14)23-9-15(21)19-12-4-2-11(18)3-5-12/h2-7,20H,8-9H2,1H3,(H,19,21)
【InChIKey】
InChIKey=WFZGZUWQJAPMNY-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1OCC(=O)Nc2ccc(cc2)F)Br)CO
【MOL File】
2-[2-BROMO-4-(HYDROX….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[2-BROMO-4-(HYDROXYMETHYL)-6-METHOXYPHENOXY]-N-(4-FLUOROPHENYL)-ACETAMIDE.cml