5-Chloro-2-Oxo-3-(Thiophene-2-Carbonyl)-3H-Indole-1-Carboxamide
[CAS# 100599-27-7]

Identification

• Name: 5-Chloro-2-Oxo-3-(Thiophene-2-Carbonyl)-3H-Indole-1-Carboxamide
• Synonyms: 5-Chloro-2-Oxo-3-(Thiophene-2-Carbonyl)Indoline-1-Carboxamide; 5-Chloro-2-Oxo-3-[Oxo-(2-Thienyl)Methyl]-1-Indolinecarboxamide; 5-Chloro-2-Keto-3-(Thiophene-2-Carbonyl)Indoline-1-Carboxamide
• Molecular Formula: C₁₄H₉ClN₂O₃S
• Molecular Weight: 320.75
• CAS Registry Number: 100599-27-7
• SMILES: C1=C(Cl)C=CC2=C1C(C(=O)N2C(=O)N)C(=O)C3=CC=CS3
• InChI: 1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,11H,(H2,16,20)
• InChIKey: IGPDWKCUDHIIRL-UHFFFAOYSA-N

Properties

• Density: 1.58g/cm³ (Cal.)
• Boiling point: 523.919°C at 760 mmHg (Cal.)
• Flash point: 270.657°C (Cal.)

References

• (1): Zhao YH, Abraham MH, Le J, Hersey A, Luscombe CN, Beck G, Sherborne B, and Cooper I. Rate-limited Steps of Human Oral Absorption and QSAR Studies, Pharm Res., 2002, 19(10), 1446-57