2-amino-4-[5-(3,5-dichlorophenyl)-5-trifiuoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifiuoroethyl) benzoic acid amide

HCID 86611468

基本情報

標準SMILES
Nc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(F)(F)F
InChIKey
QGMQCTNGRJOVMA-UHFFFAOYSA-N
分子式
C19H13Cl2F6N3O2
平均分子量
500.2 g/mol

名称と識別子

優先名称
2-amino-4-[5-(3,5-dichlorophenyl)-5-trifiuoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifiuoroethyl) benzoic acid amide
IUPAC
2-amino-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

名称と別名

2-amino-4-[5-(3,5-dichlorophenyl)-5-trifiuoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifiuoroethyl) benzoic acid amideSCHEMBL739005SCHEMBL30631643SCHEMBL306316462-amino-4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2, 2-trifluoroethyl)benzoic acid amide2-amino-4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifluoroethyl) benzoic acid amide2-amino-4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifluoroethyl)benzoic acid amide2-amino-4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-N-(2,2,2-trifluoroethyl)benzoic acid amide

データベース識別子

PubChem CID
86611468

物性

構造計算による物性

XLogP
5.8
極性表面積
76.7 Ų
水素結合供与体数
2
水素結合受容体数
10
回転可能結合数
4
重原子数
32

関連反応

15 件

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