[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate

C17H15F2NO3 — CID 2355406

IUPAC[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H15F2NO3/c18-14-5-1-12(2-6-14)9-10-20-16(21)11-23-17(22)13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H,20,21)
InChIKeyQIMQQBGMYPLLBI-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.48
Rot. Bonds6

About [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate (PubChem CID 2355406) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate
PubChem CID2355406
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H15F2NO3/c18-14-5-1-12(2-6-14)9-10-20-16(21)11-23-17(22)13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H,20,21)
InChIKeyQIMQQBGMYPLLBI-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate (CID 2355406) is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1)NCCc1ccc(F)cc1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is QIMQQBGMYPLLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3/c18-14-5-1-12(2-6-14)9-10-20-16(21)11-23-17(22)13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H,20,21).
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate?
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 319.31 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 2355406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).