N-[2-[(2R,4R)-4-Hydroxy-2-methylpyrrolidin-1-yl]-2-oxoethyl}-3-(trifluoromethyl)benzamide
기본 정보
- CAS
857651-12-8- 표준 SMILES
C[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)c1cccc(C(F)(F)F)c1- InChIKey
HISIBKQCRDMLLZ-BXKDBHETSA-N- 분자식
- C15H17F3N2O3
- 평균 분자량
- 330.3 g/mol
- 단동위원소 질량
- 330.11912689
이름 및 식별자
- 우선 이름
- N-[2-[(2R,4R)-4-Hydroxy-2-methylpyrrolidin-1-yl]-2-oxoethyl}-3-(trifluoromethyl)benzamide
- IUPAC
- N-[2-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
이름 및 동의어
N-[2-[(2R,4R)-4-Hydroxy-2-methylpyrrolidin-1-yl]-2-oxoethyl}-3-(trifluoromethyl)benzamideN-{2-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]-2-oxoethyl}-3-(trifluoromethyl)benzamideSCHEMBL4323937DTXSID501122911857651-12-8N-[2-[(2R,4R)-4-Hydroxy-2-methyl-1-pyrrolidinyl]-2-oxoethyl]-3-(trifluoromethyl)benzamideN-{2-[(2R,4R)-4-Hydroxy-2-methylpyrrolidin-1-yl]-2-oxoethyl}-3-(trifluoro-methyl)benzamide
데이터베이스 식별자
- CAS
857651-12-8- PubChem CID
- 57803302
- DTXSID
DTXSID501122911
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 69.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 456
관련 반응
2건
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