结构:O=C1Cc2cc(F)c(NCc3ccc(F)cc3)cc2N1
HCID59250056

5-Fluoro-6-(4-fluoro-benzylamino)-1,3-dihydro-indol-2-one

5-fluoro-6-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one

C15H12F2N2O274.26 g/mol

IDENTITY

结构与身份

标准 SMILES
O=C1Cc2cc(F)c(NCc3ccc(F)cc3)cc2N1
InChIKey
PPEDYWBZYQZNBF-UHFFFAOYSA-N
分子式
C15H12F2N2O
平均分子量
274.26 g/mol
单同位素质量
274.09176933

COMPUTED

结构计算性质

已同步
XLogP
2.5
极性表面积
41.1 Ų
氢键供体
2
氢键受体
4
可旋转键
3
重原子
20
形式电荷
0
复杂度
358

ALIASES

名称与别名

3
SCHEMBL155937PPEDYWBZYQZNBF-UHFFFAOYSA-N5-fluoro-6-(4-fluoro-benzylamino)-1,3-dihydro-indol-2-one

REACTIONS

参与反应

20
HRID122691

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为生成物
HRID 122691 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID171674

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 171674 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID179751

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 179751 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID318060

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 318060 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID943903

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 943903 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID1125788

Training data from https://doi.org/10.1039/C8SC04228D (7/10)

作为反应物
HRID 1125788 方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

查看条件与参与物