1-(Rac)-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-5-(2-fluoro-5-trifluoromethyl-phenyl)-2-methyl-1h-pyrrole-3-carboxylic acid ((1r,2r)-2-hydroxy-cyclohexyl)-amide

HCID 11656235
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기본 정보

표준 SMILES
Cc1c(C(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2cc(C(F)(F)F)ccc2F)n1CC1COC(C)(C)O1
InChIKey
ILHXRGYNABESCD-NMPNHXORSA-N
분자식
C25H30F4N2O4
평균 분자량
498.5 g/mol

이름 및 식별자

우선 이름
1-(Rac)-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-5-(2-fluoro-5-trifluoromethyl-phenyl)-2-methyl-1h-pyrrole-3-carboxylic acid ((1r,2r)-2-hydroxy-cyclohexyl)-amide
IUPAC
1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyrrole-3-carboxamide

이름 및 동의어

1-(rac)-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-5-(2-fluoro-5-trifluoromethyl-phenyl)-2-methyl-1h-pyrrole-3-carboxylic acid ((1r,2r)-2-hydroxy-cyclohexyl)-amide

데이터베이스 식별자

PubChem CID
11656235

물성

구조 계산 물성

XLogP
3.8
극성 표면적
72.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
5
무거운 원자 수
35

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