[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate

C₁₅H₁₀ClF₂NO₃ — CID 46860441

About [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate

[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate (PubChem CID 46860441) has the molecular formula C₁₅H₁₀ClF₂NO₃ and a molecular weight of 325.70 g/mol. Its IUPAC name is [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

• Compound Name: [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
• PubChem CID: 46860441
• Molecular Formula: C₁₅H₁₀ClF₂NO₃
• Molecular Weight: 325.70 g/mol
• Exact Mass: 325.03
• IUPAC Name: [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
• SMILES: O=C(COC(=O)c1ccc(F)cc1)Nc1cc(F)ccc1Cl
• InChI: InChI=1S/C15H10ClF2NO3/c16-12-6-5-11(18)7-13(12)19-14(20)8-22-15(21)9-1-3-10(17)4-2-9/h1-7H,8H2,(H,19,20)
• InChIKey: SMOQUCIFKVWYHQ-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.70
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate?

The IUPAC name of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate (CID 46860441) is [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate.

What is the SMILES notation for [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate?

The canonical SMILES for [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1)Nc1cc(F)ccc1Cl.

What is the InChIKey of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate?

The InChIKey is SMOQUCIFKVWYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO3/c16-12-6-5-11(18)7-13(12)19-14(20)8-22-15(21)9-1-3-10(17)4-2-9/h1-7H,8H2,(H,19,20).

What are the key properties of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate?

[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 325.70 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 46860441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 46860441 — identifiers, structure, computed properties (public domain)

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