[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

C₁₉H₁₇Cl₂NO₅ — CID 7855157

About [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (PubChem CID 7855157) has the molecular formula C₁₉H₁₇Cl₂NO₅ and a molecular weight of 410.25 g/mol. Its IUPAC name is [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

• Compound Name: [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
• PubChem CID: 7855157
• Molecular Formula: C₁₉H₁₇Cl₂NO₅
• Molecular Weight: 410.25 g/mol
• Exact Mass: 409.05
• IUPAC Name: [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
• SMILES: CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
• InChI: InChI=1S/C19H17Cl2NO5/c1-2-17(23)12-3-5-16(6-4-12)26-11-19(25)27-10-18(24)22-15-8-13(20)7-14(21)9-15/h3-9H,2,10-11H2,1H3,(H,22,24)
• InChIKey: GHTXYNNTNZDDKT-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 81.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.25
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?

The IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (CID 7855157) is [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.

What is the SMILES notation for [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?

The canonical SMILES for [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1.

What is the InChIKey of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?

The InChIKey is GHTXYNNTNZDDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO5/c1-2-17(23)12-3-5-16(6-4-12)26-11-19(25)27-10-18(24)22-15-8-13(20)7-14(21)9-15/h3-9H,2,10-11H2,1H3,(H,22,24).

What are the key properties of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?

[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 410.25 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 7855157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7855157 — identifiers, structure, computed properties (public domain)

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