N-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide

C26H28F2N2O2 — CID 10575012

IUPACN-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H28F2N2O2/c27-23-11-7-21(8-12-23)26(22-9-13-24(28)14-10-22)32-18-17-29-15-4-16-30-25(31)19-20-5-2-1-3-6-20/h1-3,5-14,26,29H,4,15-19H2,(H,30,31)
InChIKeyDBQULVOZIKDPMG-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.41
Rot. Bonds12

About N-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide

N-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide (PubChem CID 10575012) has the molecular formula C26H28F2N2O2 and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide
PubChem CID10575012
Molecular FormulaC26H28F2N2O2
Molecular Weight438.52 g/mol
Exact Mass438.21
IUPAC NameN-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H28F2N2O2/c27-23-11-7-21(8-12-23)26(22-9-13-24(28)14-10-22)32-18-17-29-15-4-16-30-25(31)19-20-5-2-1-3-6-20/h1-3,5-14,26,29H,4,15-19H2,(H,30,31)
InChIKeyDBQULVOZIKDPMG-UHFFFAOYSA-N
XLogP4.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.41
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-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide?
The IUPAC name of N-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide (CID 10575012) is N-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide?
The InChIKey is DBQULVOZIKDPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O2/c27-23-11-7-21(8-12-23)26(22-9-13-24(28)14-10-22)32-18-17-29-15-4-16-30-25(31)19-20-5-2-1-3-6-20/h1-3,5-14,26,29H,4,15-19H2,(H,30,31).
What are the key properties of N-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide?
N-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide has a molecular weight of 438.52 g/mol, XLogP of 4.41, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[bis(4-fluorophenyl)methoxy]ethylamino]propyl]-2-phenylacetamide is sourced from PubChem (CID 10575012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).