기본 정보
- CAS
70325-83-6- 표준 SMILES
CNc1cc(OC)c(C(=O)NC2CCN(Cc3ccccc3)C2C)cc1Cl- InChIKey
KRVOJOCLBAAKSJ-UHFFFAOYSA-N- 분자식
- C21H26ClN3O2
- 평균 분자량
- 387.9 g/mol
- 단동위원소 질량
- 387.1713548
개요
N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide is a benzamide obtained by formal condensation of the carboxy group of 5-chloro-2-methoxy-4-(methylamino)benzoic acid with the amino group of 1-benzyl-2-methylpyrrolidin-3-amine. It is a secondary carboxamide, a member of benzamides, a monomethoxybenzene, a N-alkylpyrrolidine, a substituted aniline, a secondary amino compound and a member of monochlorobenzenes.
이름 및 식별자
- 우선 이름
- N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
- IUPAC
- N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
- 영어명
- nemonapride
- 분자식
- C21H26ClN3O2
- 분자량
- 387.9
이름 및 동의어
n-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide70325-83-6CHEBI:642175-Chloro-2-methoxy-4-(methylamino)-N-(2-methyl-1-(phenylmethyl)-3-pyrrolidinyl)benzamideTox21 1109575-Chloro-2-methoxy-4-(methylamino)-N-[2-methyl-1-(phenylmethyl)-3-pyrrolidinyl]benzamideRefChem:161433KRVOJOCLBAAKSJ-UHFFFAOYSA-N93664-94-9N-(1-Benzyl-2-methyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylamino-benzamideEmilace; Emonapride;; YM09151; YM09151-2SCHEMBL50209
이름 더 보기
Benzamide, 5-chloro-2-methoxy-4-(methylamino)-N-[2-methyl-1-(phenylmethyl)-3-pyrrolidinyl]-
GTPL983CHEMBL20734SCHEMBL29387146HMS3268C06BDBM50454212L000438SR-01000597492Q6991226
데이터베이스 식별자
- CAS
70325-83-6
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 53.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 486
실험 및 물리화학적 성질
LogP4.44
화학 및 산업
추가 설명
정의ChEBI: A benzamide obtained by formal condensation of the carboxy group of 5-chloro-2-methoxy-4-(methylamino)benzoic acid with the amino group of 1-benzyl-2-methylpyrrolidin-3-amine.
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