N-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide

C22H21FN2O3 — CID 24875298

IUPACN-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
SMILESCC(=O)N(Cc1ccccc1OCC[18F])c1cnccc1Oc1ccccc1
InChIInChI=1S/C22H21FN2O3/c1-17(26)25(16-18-7-5-6-10-21(18)27-14-12-23)20-15-24-13-11-22(20)28-19-8-3-2-4-9-19/h2-11,13,15H,12,14,16H2,1H3/i23-1
InChIKeyHCUHRHHLUUZJEQ-VNRZBHCFSA-N
MW379.42 g/mol
LogP4.78
Rot. Bonds8

About N-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide

N-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide (PubChem CID 24875298) has the molecular formula C22H21FN2O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
PubChem CID24875298
Molecular FormulaC22H21FN2O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
SMILESCC(=O)N(Cc1ccccc1OCC[18F])c1cnccc1Oc1ccccc1
InChIInChI=1S/C22H21FN2O3/c1-17(26)25(16-18-7-5-6-10-21(18)27-14-12-23)20-15-24-13-11-22(20)28-19-8-3-2-4-9-19/h2-11,13,15H,12,14,16H2,1H3/i23-1
InChIKeyHCUHRHHLUUZJEQ-VNRZBHCFSA-N
XLogP4.78
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide?
The IUPAC name of N-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide (CID 24875298) is N-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide.
What is the SMILES notation for N-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide?
The canonical SMILES for N-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide is CC(=O)N(Cc1ccccc1OCC[18F])c1cnccc1Oc1ccccc1.
What is the InChIKey of N-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide?
The InChIKey is HCUHRHHLUUZJEQ-VNRZBHCFSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-17(26)25(16-18-7-5-6-10-21(18)27-14-12-23)20-15-24-13-11-22(20)28-19-8-3-2-4-9-19/h2-11,13,15H,12,14,16H2,1H3/i23-1.
What are the key properties of N-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide?
N-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-(18F)fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 24875298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).