[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate

C20H20FNO4 — CID 2418193

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(F)cc1)NCCc1ccccc1
InChIInChI=1S/C20H20FNO4/c21-17-8-6-16(7-9-17)18(23)10-11-20(25)26-14-19(24)22-13-12-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,24)
InChIKeyLTGPZYMYHZNFAA-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.69
Rot. Bonds9

About [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate

[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 2418193) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID2418193
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(F)cc1)NCCc1ccccc1
InChIInChI=1S/C20H20FNO4/c21-17-8-6-16(7-9-17)18(23)10-11-20(25)26-14-19(24)22-13-12-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,24)
InChIKeyLTGPZYMYHZNFAA-UHFFFAOYSA-N
XLogP2.69
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 2418193) is [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate is O=C(COC(=O)CCC(=O)c1ccc(F)cc1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is LTGPZYMYHZNFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c21-17-8-6-16(7-9-17)18(23)10-11-20(25)26-14-19(24)22-13-12-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,24).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 357.38 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2418193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).