2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide

C20H24F2N2O2 — CID 46444841

IUPAC2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)CCCOc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H24F2N2O2/c1-15(16-4-6-17(21)7-5-16)23-20(25)14-24(2)12-3-13-26-19-10-8-18(22)9-11-19/h4-11,15H,3,12-14H2,1-2H3,(H,23,25)
InChIKeyUEIUTOVRNCTOOI-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.54
Rot. Bonds9

About 2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide

2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 46444841) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is 2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID46444841
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)CCCOc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H24F2N2O2/c1-15(16-4-6-17(21)7-5-16)23-20(25)14-24(2)12-3-13-26-19-10-8-18(22)9-11-19/h4-11,15H,3,12-14H2,1-2H3,(H,23,25)
InChIKeyUEIUTOVRNCTOOI-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 62687201
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094865
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 47007435
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8754897
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 46444841) is 2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(NC(=O)CN(C)CCCOc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is UEIUTOVRNCTOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-15(16-4-6-17(21)7-5-16)23-20(25)14-24(2)12-3-13-26-19-10-8-18(22)9-11-19/h4-11,15H,3,12-14H2,1-2H3,(H,23,25).
What are the key properties of 2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 362.42 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 46444841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).