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

C17H16FNO4 — CID 7815449

IUPACmethyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C17H16FNO4/c1-22-17(21)13-8-6-12(7-9-13)10-19-16(20)11-23-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyPPECRZZRWLUXJS-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.31
Rot. Bonds6

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

methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate (PubChem CID 7815449) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate
PubChem CID7815449
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Namemethyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C17H16FNO4/c1-22-17(21)13-8-6-12(7-9-13)10-19-16(20)11-23-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyPPECRZZRWLUXJS-UHFFFAOYSA-N
XLogP2.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate
CID 36775654
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 8947910
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-fluorophenoxy)acetamide
CID 34315448
2-(2-fluorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51306226
methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate
CID 7919593
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140316
N-(benzylcarbamoyl)-2-(2-fluorophenoxy)acetamide
CID 7892017
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
methyl 3-bromo-4-[2-[(2-fluorophenyl)methylamino]-2-oxoethoxy]benzoate
CID 24651307
methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate
CID 7931566
2-(2-fluorophenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]acetamide
CID 110783085

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate (CID 7815449) is methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)COc2ccccc2F)cc1.
What is the InChIKey of methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate?
The InChIKey is PPECRZZRWLUXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-22-17(21)13-8-6-12(7-9-13)10-19-16(20)11-23-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate?
methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate has a molecular weight of 317.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate is sourced from PubChem (CID 7815449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).