기본 정보
- 표준 SMILES
CCN1CCCC1CNC(=O)c1c(OC)c(Cl)cc(Cl)c1OC- InChIKey
JGQKBQNMKHVABS-UHFFFAOYSA-N- 분자식
- C16H22Cl2N2O3
- 평균 분자량
- 361.3 g/mol
이름 및 식별자
- 우선 이름
- Benzamide, 3,5-dichloro-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)-
- IUPAC
- 3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide
- 현지명
- 2-((3,5-디클로로-2,6-디메톡시벤즈아미도)메틸)-1-에틸피롤리딘
- 영어명
- 2-((3,5-Dichloro-2,6-dimethoxybenzamido)methyl)-1-ethylpyrrolidine
- 분자식
- C16H22Cl2N2O3
- 분자량
- 361.26
이름 및 동의어
82935-26-02-((3,5-Dichloro-2,6-dimethoxybenzamido)methyl)-1-ethylpyrrolidine3,5-Dichloro-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)benzamideBENZAMIDE, 3,5-DICHLORO-2,6-DIMETHOXY-N-(1-ETHYL-2-PYRROLIDINYLMETHYL)-RefChem:3215093,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide3,5-Dichloro-N-((1-ethylpyrrolidin-2-yl)methyl)-2,6-dimethoxybenzamideBenzamide,3,5-dichloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxy-CHEMBL287083SCHEMBL10692870(S)-3,5-Dichloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxybenzamideJGQKBQNMKHVABS-UHFFFAOYSA-N
이름 더 보기
2-((3,5-디클로로-2,6-디메톡시벤즈아미도)메틸)-1-에틸피롤리딘Benzamide, 3,5-dichloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxy-
DTXSID80100300584225-94-5N-Ethyl-2-(3,5-dichloro-2,6-dimethoxybenzamidomethyl) pyrrolidine(-)-N-ethyl-2-(3,5-dichloro-2,6-dimethoxybenzamidomethyl)pyrrolidine3,5-Dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzene-1-carboximidic acid
데이터베이스 식별자
- CAS
82935-26-0- PubChem CID
- 54941
- DTXSID
DTXSID801003005- ChEMBL
CHEMBL287083- Nikkaji
- J68.082F
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 50.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 384
물리화학적 성질
- 녹는점
- 120 · 120-121 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
- 끓는 점
- 423.6 · 423.6±45.0 °C(Predicted)
- 밀도
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.1 · 13.10±0.46(Predicted)
화학 및 산업
공급사1 곳
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