[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

C18H18FNO5 — CID 2358095

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO5/c1-23-15-6-8-16(9-7-15)24-12-18(22)25-11-17(21)20-10-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyBRDLQDWMBMSSJI-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.07
Rot. Bonds8

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 2358095) has the molecular formula C18H18FNO5 and a molecular weight of 347.34 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
PubChem CID2358095
Molecular FormulaC18H18FNO5
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO5/c1-23-15-6-8-16(9-7-15)24-12-18(22)25-11-17(21)20-10-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyBRDLQDWMBMSSJI-UHFFFAOYSA-N
XLogP2.07
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (CID 2358095) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OCC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is BRDLQDWMBMSSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5/c1-23-15-6-8-16(9-7-15)24-12-18(22)25-11-17(21)20-10-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,20,21).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 347.34 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 2358095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).