N-(4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide

HCID 58601063
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1
InChIKey
CLPJDDCWLJOIBI-UHFFFAOYSA-N
분자식
C21H23BF3NO3
평균 분자량
405.2 g/mol
단동위원소 질량
405.1723082

이름 및 식별자

우선 이름
N-(4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide
IUPAC
N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide

이름 및 동의어

876322-58-6N-(4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamideN-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamideN-[4-Methyl-3-(4,4,5,5-tetramethyl- [1,3,2]dioxaborolan-2-yl)-phenyl]-3-trifluoromethyl-benzamideSCHEMBL2887561SCHEMBL29536884MFCD21605391N-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-3-trifluoromethylbenzamideSY399013DB-343719EN300-372083A1-44141
이름 더 보기
Z27681651332-Methyl-5-[3-(trifluoromethyl)benzamido]phenylboronic Acid Pinacol EsterN-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-3-tri-fluoromethyl-benzamideN-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-3-trifluoromethyl-benzamide

데이터베이스 식별자

PubChem CID
58601063

물성

구조 계산 물성

극성 표면적
47.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
3
무거운 원자 수
29

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2건
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