methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate

C18H18FNO4 — CID 36775654

IUPACmethyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C18H18FNO4/c1-23-18(22)14-8-6-13(7-9-14)10-11-20-17(21)12-24-16-5-3-2-4-15(16)19/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyWEPIJBCYCVLMMY-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.35
Rot. Bonds7

About methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate

methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate (PubChem CID 36775654) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate
PubChem CID36775654
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Namemethyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C18H18FNO4/c1-23-18(22)14-8-6-13(7-9-14)10-11-20-17(21)12-24-16-5-3-2-4-15(16)19/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyWEPIJBCYCVLMMY-UHFFFAOYSA-N
XLogP2.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate
CID 7815449
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
N-[2-(3,4-difluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110788270
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate
CID 7842405
2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide
CID 110789233
methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
CID 36774109
methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate
CID 55559807
2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)ethyl]acetamide
CID 51098959
methyl 4-[2-[(2-chloroacetyl)amino]ethyl]benzoate
CID 68756324
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide
CID 48586236
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide
CID 38878415

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate (CID 36775654) is methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate is COC(=O)c1ccc(CCNC(=O)COc2ccccc2F)cc1.
What is the InChIKey of methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate?
The InChIKey is WEPIJBCYCVLMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-23-18(22)14-8-6-13(7-9-14)10-11-20-17(21)12-24-16-5-3-2-4-15(16)19/h2-9H,10-12H2,1H3,(H,20,21).
What are the key properties of methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate?
methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate has a molecular weight of 331.34 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate is sourced from PubChem (CID 36775654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).