4-cyano-N-[2-ethyl-4-(1,2,2,3,3,3-hexafluoro-1-trifluoromethyl-propyl)-6-methyl-phenyl]-3-methyl-benzamide

HCID 86653593

기본 정보

표준 SMILES
CCc1cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc(C)c1NC(=O)c1ccc(C#N)c(C)c1
InChIKey
BJIUQVYIAMHMSX-UHFFFAOYSA-N
분자식
C22H17F9N2O
평균 분자량
496.4 g/mol

이름 및 식별자

우선 이름
4-cyano-N-[2-ethyl-4-(1,2,2,3,3,3-hexafluoro-1-trifluoromethyl-propyl)-6-methyl-phenyl]-3-methyl-benzamide
IUPAC
4-cyano-N-[2-ethyl-6-methyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]-3-methylbenzamide

이름 및 동의어

4-cyano-N-[2-ethyl-4-(1,2,2,3,3,3-hexafluoro-1-trifluoromethyl-propyl)-6-methyl-phenyl]-3-methyl-benzamideSCHEMBL1420650

데이터베이스 식별자

PubChem CID
86653593

물성

구조 계산 물성

XLogP
6.9
극성 표면적
52.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
11
회전 가능 결합 수
5
무거운 원자 수
34

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