4-Benzoyl-1H-pyrrole-2-carboxamide

CAS N/A MFCD00141917

化学结构图

N/A
SMILES: NC(=O)C1=CC(=CN1)C(=O)C1C=CC=CC=1

化学属性

Mol. FormulaC12H10N2O2
Mol. Weight214.22
Melting Point230-232°

别名和识别编码

Chemical Name4-benzoyl-1H-pyrrole-2-carboxamide
Alfabeta NameBENZOYLPYRROLECARBOXAMIDE H412-----
MDL NumberMFCD00141917
Synonym 4-benzoyl-1H-pyrrole-2-carboxamide
PubChem Substance ID329791789

分类

  • {KO} AminesSecondaryHeteroNH
  • {KO} Ketones
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Pyrroles

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P305+P351+P338
Signal word Warning
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R22 Harmful if swallowed 吞咽有害

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
2
H-bond Acceptors
2
Rotatable Bonds
3
LogP
8.726000000000002e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrroles 吡咯

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