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

C17H15F2NO3 — CID 7863944

IUPAC[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NCCc1ccc(F)cc1
InChIInChI=1S/C17H15F2NO3/c18-13-7-5-12(6-8-13)9-10-20-16(21)11-23-17(22)14-3-1-2-4-15(14)19/h1-8H,9-11H2,(H,20,21)
InChIKeyFBOQXYGJHGKGDH-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.48
Rot. Bonds6

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

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate (PubChem CID 7863944) 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] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
PubChem CID7863944
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NCCc1ccc(F)cc1
InChIInChI=1S/C17H15F2NO3/c18-13-7-5-12(6-8-13)9-10-20-16(21)11-23-17(22)14-3-1-2-4-15(14)19/h1-8H,9-11H2,(H,20,21)
InChIKeyFBOQXYGJHGKGDH-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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Related Compounds

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate
CID 7229070
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722923
4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
CID 110411259
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 55424719
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 2586495
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate
CID 2103334
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783610
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983699
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 4792568
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3,5-dichlorobenzoate
CID 2364423
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-tert-butylbenzoate
CID 7500839

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate (CID 7863944) is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate is O=C(COC(=O)c1ccccc1F)NCCc1ccc(F)cc1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is FBOQXYGJHGKGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3/c18-13-7-5-12(6-8-13)9-10-20-16(21)11-23-17(22)14-3-1-2-4-15(14)19/h1-8H,9-11H2,(H,20,21).
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate?
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-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] 2-fluorobenzoate is sourced from PubChem (CID 7863944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).