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

C21H19FN2O3 — CID 73053527

IUPACN-[[2-((18F)fluoromethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
SMILESCC(=O)N(Cc1ccccc1OC[18F])c1cnccc1Oc1ccccc1
InChIInChI=1S/C21H19FN2O3/c1-16(25)24(14-17-7-5-6-10-20(17)26-15-22)19-13-23-12-11-21(19)27-18-8-3-2-4-9-18/h2-13H,14-15H2,1H3/i22-1
InChIKeyHSYRKMNHUANBOW-KVTPGWOSSA-N
MW365.39 g/mol
LogP4.73
Rot. Bonds7

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

N-[[2-((18F)fluoromethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide (PubChem CID 73053527) has the molecular formula C21H19FN2O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[[2-((18F)fluoromethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[[2-((18F)fluoromethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
PubChem CID73053527
Molecular FormulaC21H19FN2O3
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[[2-((18F)fluoromethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
SMILESCC(=O)N(Cc1ccccc1OC[18F])c1cnccc1Oc1ccccc1
InChIInChI=1S/C21H19FN2O3/c1-16(25)24(14-17-7-5-6-10-20(17)26-15-22)19-13-23-12-11-21(19)27-18-8-3-2-4-9-18/h2-13H,14-15H2,1H3/i22-1
InChIKeyHSYRKMNHUANBOW-KVTPGWOSSA-N
XLogP4.73
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-((18F)fluoromethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide?
The IUPAC name of N-[[2-((18F)fluoromethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide (CID 73053527) is N-[[2-((18F)fluoromethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide.
What is the SMILES notation for N-[[2-((18F)fluoromethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide?
The canonical SMILES for N-[[2-((18F)fluoromethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide is CC(=O)N(Cc1ccccc1OC[18F])c1cnccc1Oc1ccccc1.
What is the InChIKey of N-[[2-((18F)fluoromethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide?
The InChIKey is HSYRKMNHUANBOW-KVTPGWOSSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-16(25)24(14-17-7-5-6-10-20(17)26-15-22)19-13-23-12-11-21(19)27-18-8-3-2-4-9-18/h2-13H,14-15H2,1H3/i22-1.
What are the key properties of N-[[2-((18F)fluoromethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide?
N-[[2-((18F)fluoromethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide has a molecular weight of 365.39 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-((18F)fluoromethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 73053527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).