methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate

C17H16FNO5 — CID 17341883

IUPACmethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)COc2ccc(F)cc2)c1
InChIInChI=1S/C17H16FNO5/c1-22-17(21)11-24-15-4-2-3-13(9-15)19-16(20)10-23-14-7-5-12(18)6-8-14/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyPHWDLBBAOZKUIB-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.39
Rot. Bonds7

About methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate

methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate (PubChem CID 17341883) has the molecular formula C17H16FNO5 and a molecular weight of 333.32 g/mol. Its IUPAC name is methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate
PubChem CID17341883
Molecular FormulaC17H16FNO5
Molecular Weight333.32 g/mol
Exact Mass333.10
IUPAC Namemethyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)COc2ccc(F)cc2)c1
InChIInChI=1S/C17H16FNO5/c1-22-17(21)11-24-15-4-2-3-13(9-15)19-16(20)10-23-14-7-5-12(18)6-8-14/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyPHWDLBBAOZKUIB-UHFFFAOYSA-N
XLogP2.39
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870253
2-(4-fluorophenoxy)-N-(3-hydroxyphenyl)acetamide
CID 6458581
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[4-[[2-(3-carbamoylphenoxy)acetyl]amino]phenoxy]acetate
CID 55911984
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
methyl 2-[3-(but-3-ynoylamino)phenoxy]acetate
CID 114028677
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
methyl 2-[3-[4-(methylamino)butanoylamino]phenoxy]acetate
CID 119713738
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate (CID 17341883) is methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate is COC(=O)COc1cccc(NC(=O)COc2ccc(F)cc2)c1.
What is the InChIKey of methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate?
The InChIKey is PHWDLBBAOZKUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5/c1-22-17(21)11-24-15-4-2-3-13(9-15)19-16(20)10-23-14-7-5-12(18)6-8-14/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate?
methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate has a molecular weight of 333.32 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate is sourced from PubChem (CID 17341883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).