N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide

C23H21F2NO4 — CID 11165856

IUPACN-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
SMILESCOc1ccc(OCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
InChIInChI=1S/C23H21F2NO4/c1-16(27)26(14-17-12-20(28-2)9-11-22(17)29-15-24)21-13-18(25)8-10-23(21)30-19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3
InChIKeyHNCYVWMTXRPXGY-UHFFFAOYSA-N
MW413.42 g/mol
LogP5.49
Rot. Bonds8

About N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide

N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide (PubChem CID 11165856) has the molecular formula C23H21F2NO4 and a molecular weight of 413.42 g/mol. Its IUPAC name is N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
PubChem CID11165856
Molecular FormulaC23H21F2NO4
Molecular Weight413.42 g/mol
Exact Mass413.14
IUPAC NameN-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
SMILESCOc1ccc(OCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
InChIInChI=1S/C23H21F2NO4/c1-16(27)26(14-17-12-20(28-2)9-11-22(17)29-15-24)21-13-18(25)8-10-23(21)30-19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3
InChIKeyHNCYVWMTXRPXGY-UHFFFAOYSA-N
XLogP5.49
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.42
LogP ≤ 55.49
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
Fedaa-1106 F-18
CID 6398888
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
N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
CID 70688885

Frequently Asked Questions

What is the IUPAC name of N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide?
The IUPAC name of N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide (CID 11165856) is N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide.
What is the SMILES notation for N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide?
The canonical SMILES for N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide is COc1ccc(OCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1.
What is the InChIKey of N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide?
The InChIKey is HNCYVWMTXRPXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO4/c1-16(27)26(14-17-12-20(28-2)9-11-22(17)29-15-24)21-13-18(25)8-10-23(21)30-19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3.
What are the key properties of N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide?
N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide has a molecular weight of 413.42 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide is sourced from PubChem (CID 11165856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).