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

HCID 11634924
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기본 정보

표준 SMILES
Cc1c(C(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2cc(C(F)(F)F)ccc2Cl)n1CC1COC(C)(C)O1
InChIKey
AZTHBSINMBBUDS-NMPNHXORSA-N
분자식
C25H30ClF3N2O4
평균 분자량
515 g/mol
단동위원소 질량
514.1846196

이름 및 식별자

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

이름 및 동의어

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

데이터베이스 식별자

PubChem CID
11634924

물성

구조 계산 물성

XLogP
4.4
극성 표면적
72.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
5
무거운 원자 수
35

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