[2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate

C18H18FNO3 — CID 8590507

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1cccc(F)c1)NCCc1ccccc1
InChIInChI=1S/C18H18FNO3/c19-16-8-4-7-15(11-16)12-18(22)23-13-17(21)20-10-9-14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2,(H,20,21)
InChIKeyKGMMPRKYIUGBDR-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.27
Rot. Bonds7

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate (PubChem CID 8590507) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate
PubChem CID8590507
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1cccc(F)c1)NCCc1ccccc1
InChIInChI=1S/C18H18FNO3/c19-16-8-4-7-15(11-16)12-18(22)23-13-17(21)20-10-9-14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2,(H,20,21)
InChIKeyKGMMPRKYIUGBDR-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate (CID 8590507) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate is O=C(COC(=O)Cc1cccc(F)c1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate?
The InChIKey is KGMMPRKYIUGBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-16-8-4-7-15(11-16)12-18(22)23-13-17(21)20-10-9-14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2,(H,20,21).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate has a molecular weight of 315.34 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate is sourced from PubChem (CID 8590507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).