N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide

C25H26F2N2O2 — CID 10788455

IUPACN-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H26F2N2O2/c26-22-10-6-20(7-11-22)25(21-8-12-23(27)13-9-21)31-17-16-28-14-15-29-24(30)18-19-4-2-1-3-5-19/h1-13,25,28H,14-18H2,(H,29,30)
InChIKeyZOVQSSMFGDAFDJ-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.02
Rot. Bonds11

About N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide

N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide (PubChem CID 10788455) has the molecular formula C25H26F2N2O2 and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide
PubChem CID10788455
Molecular FormulaC25H26F2N2O2
Molecular Weight424.49 g/mol
Exact Mass424.20
IUPAC NameN-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H26F2N2O2/c26-22-10-6-20(7-11-22)25(21-8-12-23(27)13-9-21)31-17-16-28-14-15-29-24(30)18-19-4-2-1-3-5-19/h1-13,25,28H,14-18H2,(H,29,30)
InChIKeyZOVQSSMFGDAFDJ-UHFFFAOYSA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide (CID 10788455) is N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide?
The InChIKey is ZOVQSSMFGDAFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O2/c26-22-10-6-20(7-11-22)25(21-8-12-23(27)13-9-21)31-17-16-28-14-15-29-24(30)18-19-4-2-1-3-5-19/h1-13,25,28H,14-18H2,(H,29,30).
What are the key properties of N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide?
N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide has a molecular weight of 424.49 g/mol, XLogP of 4.02, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 10788455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).