CAS 866010-57-3

N-[[2-Chloro-6-(1H-pyrrol-1-yl)phenyl]methyl]-N′-phenylurea

Description:

N-[[2-Chloro-6-(1H-pyrrol-1-yl)phenyl]methyl]-N′-phenylurea, identified by its CAS number 866010-57-3, is a chemical compound that belongs to the class of ureas. This substance features a urea functional group, which is characterized by the presence of a carbonyl group (C=O) bonded to two nitrogen atoms (N). The compound exhibits a complex structure with a chloro-substituted phenyl ring and a pyrrole moiety, contributing to its potential biological activity. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The presence of the chloro group can influence its reactivity and interaction with biological targets, making it of interest in medicinal chemistry and agrochemical applications. Additionally, the compound's unique structure may confer specific pharmacological properties, which could be explored in drug development or as a potential pesticide. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or environmental impact.

Formula: C₁₈H₁₆ClN₃O

InChI: InChI=1S/C18H16ClN3O/c19-16-9-6-10-17(22-11-4-5-12-22)15(16)13-20-18(23)21-14-7-2-1-3-8-14/h1-12H,13H2,(H2,20,21,23)

InChI key: InChIKey=UNPKBDTXWZMYFL-UHFFFAOYSA-N

SMILES: C(NC(NC1=CC=CC=C1)=O)C2=C(C=CC=C2Cl)N3C=CC=C3

Synonyms:

• Urea, N-[[2-chloro-6-(1H-pyrrol-1-yl)phenyl]methyl]-N′-phenyl-
• N-[[2-Chloro-6-(1H-pyrrol-1-yl)phenyl]methyl]-N′-phenylurea