N-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide

C24H23F2NO4 — CID 6398888

IUPACN-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
SMILESCOc1ccc(OCC[18F])c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
InChIInChI=1S/C24H23F2NO4/c1-17(28)27(16-18-14-21(29-2)9-11-23(18)30-13-12-25)22-15-19(26)8-10-24(22)31-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3/i25-1
InChIKeyNZVKWLWAFUSDQE-FNNGWQQSSA-N
MW426.45 g/mol
LogP5.53
Rot. Bonds9

About N-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide

N-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide (PubChem CID 6398888) has the molecular formula C24H23F2NO4 and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
PubChem CID6398888
Molecular FormulaC24H23F2NO4
Molecular Weight426.45 g/mol
Exact Mass426.16
IUPAC NameN-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
SMILESCOc1ccc(OCC[18F])c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
InChIInChI=1S/C24H23F2NO4/c1-17(28)27(16-18-14-21(29-2)9-11-23(18)30-13-12-25)22-15-19(26)8-10-24(22)31-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3/i25-1
InChIKeyNZVKWLWAFUSDQE-FNNGWQQSSA-N
XLogP5.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Daa-1106 C-11
CID 5458184
N-(2,5-dimethoxybenzyl)-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 10430788
N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide
CID 53239668
Pbr-06
CID 25208880
Pbr-06 F-18
CID 11696868
N-(benzo[1,3]dioxol-4-ylmethyl)-2-Fluoro-N-(2-phenyloxy-phenyl)acetamide
CID 67257868
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide
CID 68334393
Fedaa-1106
CID 9845414
N-(2-Fluoromethoxy-5-methoxy-benzyl)-N-(5-fluoro-2-phenoxy-phenyl)-acetamide
CID 11165856
1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(benzyloxy)pyridin-2(1H)-one
CID 53321223
N-[[5-(2-fluoroethoxy)-2-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 70684660
N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 70684661

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide?
The IUPAC name of N-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide (CID 6398888) is N-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide.
What is the SMILES notation for N-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide?
The canonical SMILES for N-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide is COc1ccc(OCC[18F])c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1.
What is the InChIKey of N-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide?
The InChIKey is NZVKWLWAFUSDQE-FNNGWQQSSA-N. The full InChI is InChI=1S/C24H23F2NO4/c1-17(28)27(16-18-14-21(29-2)9-11-23(18)30-13-12-25)22-15-19(26)8-10-24(22)31-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3/i25-1.
What are the key properties of N-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide?
N-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide has a molecular weight of 426.45 g/mol, XLogP of 5.53, 9 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)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide is sourced from PubChem (CID 6398888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).