N-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide

C23H22FNO4 — CID 11696868

IUPACN-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CN(C(=O)C[18F])c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C23H22FNO4/c1-27-19-12-13-21(28-2)17(14-19)16-25(23(26)15-24)20-10-6-7-11-22(20)29-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3/i24-1
InChIKeyNSOMTOOLHNHIJA-MIGPCILRSA-N
MW394.43 g/mol
LogP5.00
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide

N-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide (PubChem CID 11696868) has the molecular formula C23H22FNO4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide
PubChem CID11696868
Molecular FormulaC23H22FNO4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CN(C(=O)C[18F])c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C23H22FNO4/c1-27-19-12-13-21(28-2)17(14-19)16-25(23(26)15-24)20-10-6-7-11-22(20)29-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3/i24-1
InChIKeyNSOMTOOLHNHIJA-MIGPCILRSA-N
XLogP5.00
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide (CID 11696868) is N-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide is COc1ccc(OC)c(CN(C(=O)C[18F])c2ccccc2Oc2ccccc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide?
The InChIKey is NSOMTOOLHNHIJA-MIGPCILRSA-N. The full InChI is InChI=1S/C23H22FNO4/c1-27-19-12-13-21(28-2)17(14-19)16-25(23(26)15-24)20-10-6-7-11-22(20)29-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3/i24-1.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide?
N-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide has a molecular weight of 394.43 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 11696868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).