기본 정보
- 표준 SMILES
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C(O)C(=O)N(CCC#N)C1- InChIKey
UMWSOQJPSGMQRX-UHFFFAOYSA-N- 분자식
- C16H15Cl2N3O3
- 평균 분자량
- 368.2 g/mol
- 단동위원소 질량
- 367.0490467
이름 및 식별자
- 우선 이름
- 1-(2-cyanoethyl)-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
- IUPAC
- 1-(2-cyanoethyl)-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
이름 및 동의어
UMWSOQJPSGMQRX-UHFFFAOYSA-N1-(2-cyano-ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrole-3 carboxylic acid (3,4-dichloro-benzyl)-methyl-amide1-(2-Cyano-ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3carboxylic acid (3,4-dichloro-benzyl)-methyl-amide1-(2-cyanoethyl)-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide1H-Pyrrole-3-carboxamide, 1-[2-(cyano)ethyl]-N-[(3,4-dichlorophenyl)methyl]-2,5-dihydro-4-hydroxy-N-methyl-5-oxo-
데이터베이스 식별자
- PubChem CID
- 54698211
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 84.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 599
관련 반응
2건
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