[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate

C18H18FNO4 — CID 7842405

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1F)NCCc1ccccc1
InChIInChI=1S/C18H18FNO4/c19-15-8-4-5-9-16(15)23-13-18(22)24-12-17(21)20-11-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,21)
InChIKeyQUTFOAKGCLWTBK-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.11
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 7842405) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate
PubChem CID7842405
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1F)NCCc1ccccc1
InChIInChI=1S/C18H18FNO4/c19-15-8-4-5-9-16(15)23-13-18(22)24-12-17(21)20-11-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,21)
InChIKeyQUTFOAKGCLWTBK-UHFFFAOYSA-N
XLogP2.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8920134
2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)ethyl]acetamide
CID 51098959
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2553995
N-[2-(3,4-difluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110788270
methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate
CID 36775654
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140316
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913578
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8002848
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-fluorophenoxy)acetate
CID 9140307
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842381
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8700972

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate (CID 7842405) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate is O=C(COC(=O)COc1ccccc1F)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is QUTFOAKGCLWTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c19-15-8-4-5-9-16(15)23-13-18(22)24-12-17(21)20-11-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,21).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 331.34 g/mol, XLogP of 2.11, 8 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] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 7842405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).