N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide (HCID 54698191)

기본 정보

표준 SMILES: CN(Cc1ccc(F)cc1)C(=O)C1=C(O)C(=O)N(CCCc2ccccc2)C1
InChIKey: GEGGGTIMCUMYJI-UHFFFAOYSA-N
분자식: C22H23FN2O3
평균 분자량: 382.4 g/mol
단동위원소 질량: 382.16927076

이름 및 식별자

우선 이름: N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
IUPAC: N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide

이름 및 동의어

GEGGGTIMCUMYJI-UHFFFAOYSA-N1H-Pyrrole-3-carboxamide, 1-[3-(phenyl)propyl]-N-[(4-fluorophenyl)methyl]-2,5-dihydro-4-hydroxy-N-methyl-5-oxo-4-Hydroxy-5-oxo-1-(3-phenyl-propyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (4-fluoro-benzyl)-methyl-amideN-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide

데이터베이스 식별자

PubChem CID: 54698191

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 60.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 28
형식 전하: 0
복잡도: 593

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