기본 정보
- 표준 SMILES
CCN1CCCC1CNC(=O)c1c(OC)c(Cl)cc(Br)c1OC- InChIKey
MWGNFOKKFFBHLD-UHFFFAOYSA-N- 분자식
- C16H22BrClN2O3
- 평균 분자량
- 405.7 g/mol
이름 및 식별자
- 우선 이름
- Benzamide, 3-bromo-5-chloro-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)-
- IUPAC
- 3-bromo-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide
- 영어명
- 3-bromo-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxy-benz amide
- 분자식
- C16H22BrClN2O3
- 분자량
- 405.71
이름 및 동의어
82935-27-12-((3-Bromo-5-chloro-2,6-dimethoxybenzamido)methyl)-1-ethylpyrrolidine3-Bromo-5-chloro-2,6-dimethoxy-N-(1-ethyl-2-pyrolidinylmethyl)-benzamideBENZAMIDE, 3-BROMO-5-CHLORO-2,6-DIMETHOXY-N-(1-ETHYL-2-PYRROLIDINYLMETHYL)-RefChem:3215353-Bromo-5-chloro-N-((1-ethylpyrrolidin-2-yl)methyl)-2,6-dimethoxybenzamide3-Bromo-5-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxybenzamideCHEMBL23621SCHEMBL11168904MWGNFOKKFFBHLD-UHFFFAOYSA-NDTXSID501003006N-Ethyl-2-(3-bromo-5-chloro-2,6-dimethoxybenzamidomethyl) pyrrolidine
이름 더 보기
3-bromo-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxy-benz amideBenzamide, 3-bromo-5-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxy-
3-Bromo-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzene-1-carboximidic acid
데이터베이스 식별자
- CAS
82935-27-1- PubChem CID
- 54942
- DTXSID
DTXSID501003006- ChEMBL
CHEMBL23621- Nikkaji
- J68.074E
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
- 402
물리화학적 성질
- 녹는점
- 124 · 124-125 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
- 끓는 점
- 435.8 · 435.8±45.0 °C(Predicted)
- 밀도
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.1 · 13.10±0.46(Predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
관련 반응
2건
연결된 노트
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