N-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide

C20H17FN2O2 — CID 58029265

IUPACN-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide
SMILESO=C(C[18F])N(Cc1ccccc1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C20H17FN2O2/c21-14-19(24)23(15-16-8-3-1-4-9-16)18-12-7-13-22-20(18)25-17-10-5-2-6-11-17/h1-13H,14-15H2/i21-1
InChIKeyUHVAXNWJZJDMLI-GJQNQZCXSA-N
MW335.37 g/mol
LogP4.38
Rot. Bonds6

About N-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide

N-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide (PubChem CID 58029265) has the molecular formula C20H17FN2O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide
PubChem CID58029265
Molecular FormulaC20H17FN2O2
Molecular Weight335.37 g/mol
Exact Mass335.13
IUPAC NameN-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide
SMILESO=C(C[18F])N(Cc1ccccc1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C20H17FN2O2/c21-14-19(24)23(15-16-8-3-1-4-9-16)18-12-7-13-22-20(18)25-17-10-5-2-6-11-17/h1-13H,14-15H2/i21-1
InChIKeyUHVAXNWJZJDMLI-GJQNQZCXSA-N
XLogP4.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide?
The IUPAC name of N-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide (CID 58029265) is N-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide.
What is the SMILES notation for N-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide?
The canonical SMILES for N-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide is O=C(C[18F])N(Cc1ccccc1)c1cccnc1Oc1ccccc1.
What is the InChIKey of N-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide?
The InChIKey is UHVAXNWJZJDMLI-GJQNQZCXSA-N. The full InChI is InChI=1S/C20H17FN2O2/c21-14-19(24)23(15-16-8-3-1-4-9-16)18-12-7-13-22-20(18)25-17-10-5-2-6-11-17/h1-13H,14-15H2/i21-1.
What are the key properties of N-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide?
N-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide has a molecular weight of 335.37 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 58029265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).