기본 정보
- CAS
926922-18-1- 표준 SMILES
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(I)c3)cc(C(F)(F)F)c2)cn1- InChIKey
WDDHGZLDAZNYLH-UHFFFAOYSA-N- 분자식
- C19H15F3IN3O
- 평균 분자량
- 485.2 g/mol
- 단동위원소 질량
- 485.02119476
이름 및 식별자
- 우선 이름
- 3-Iodo-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
- IUPAC
- 3-iodo-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
- 영어명
- 3-Iodo-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
- 분자식
- C19H15F3IN3O
- 분자량
- 485.24
이름 및 동의어
926922-18-13-Iodo-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide3-iodo-4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)benzamide3-iodo-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamideN-(3-(TRIFLUOROMETHYL)-5-(4-METHYL-1H-IMIDAZOL-1-YL)PHENYL)-3-IODO-4-METHYLBENZAMIDENilotinib Iodo ImpuritySCHEMBL589522SCHEMBL29493483DTXSID30590823AKOS015924631DB-3313523-Iodo-4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl) phenyl)benzamide
이름 더 보기
Benzamide, 3-iodo-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-
3-Iodo-4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl) Benzamide3-Iodo-4methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl) BenzamideBenzamide, 3-iodo-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-; 3-Iodo-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 46.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 533
물리화학적 성질
- 녹는점
- 235 · 235-237 ºC
- 끓는 점
- 489.7 · 489.7±45.0 °C(Predicted)
- 밀도
- 1.61 · 1.61
- 용해도
- 클로로포름, DMSO, 메탄올 에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.21 · 12.21±0.70(Predicted)
- 색상
- 회백색
화학적 성질
Off-White Solid
화학 및 산업
응용 분야
용도Intermediate in the preparation of Nilotinib.
상·하류 제품 정보
상류 원료
공급사16 곳
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