1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea

C₁₈H₂₀ClN₃O₄ — CID 4055904

About 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea

1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea (PubChem CID 4055904) has the molecular formula C₁₈H₂₀ClN₃O₄ and a molecular weight of 377.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea.

Molecular Properties

• Compound Name: 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea
• PubChem CID: 4055904
• Molecular Formula: C₁₈H₂₀ClN₃O₄
• Molecular Weight: 377.83 g/mol
• Exact Mass: 377.11
• IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea
• SMILES: CCc1ccc(OCC(=O)NNC(=O)Nc2cc(Cl)ccc2OC)cc1
• InChI: InChI=1S/C18H20ClN3O4/c1-3-12-4-7-14(8-5-12)26-11-17(23)21-22-18(24)20-15-10-13(19)6-9-16(15)25-2/h4-10H,3,11H2,1-2H3,(H,21,23)(H2,20,22,24)
• InChIKey: MHQPMPIWHJFTIR-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 88.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.83
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea?

The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea (CID 4055904) is 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea.

What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea?

The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea is CCc1ccc(OCC(=O)NNC(=O)Nc2cc(Cl)ccc2OC)cc1.

What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea?

The InChIKey is MHQPMPIWHJFTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-3-12-4-7-14(8-5-12)26-11-17(23)21-22-18(24)20-15-10-13(19)6-9-16(15)25-2/h4-10H,3,11H2,1-2H3,(H,21,23)(H2,20,22,24).

What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea?

1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea has a molecular weight of 377.83 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea is sourced from PubChem (CID 4055904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4055904 — identifiers, structure, computed properties (public domain)

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