[2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate

C22H18FNO5 — CID 8702272

IUPAC[2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)cc1F
InChIInChI=1S/C22H18FNO5/c1-27-19-12-11-15(13-17(19)23)22(26)28-14-21(25)24-18-9-5-6-10-20(18)29-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,25)
InChIKeyRYEUCUIGNNLWLG-UHFFFAOYSA-N
MW395.39 g/mol
LogP4.42
Rot. Bonds7

About [2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate

[2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate (PubChem CID 8702272) has the molecular formula C22H18FNO5 and a molecular weight of 395.39 g/mol. Its IUPAC name is [2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate
PubChem CID8702272
Molecular FormulaC22H18FNO5
Molecular Weight395.39 g/mol
Exact Mass395.12
IUPAC Name[2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)cc1F
InChIInChI=1S/C22H18FNO5/c1-27-19-12-11-15(13-17(19)23)22(26)28-14-21(25)24-18-9-5-6-10-20(18)29-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,25)
InChIKeyRYEUCUIGNNLWLG-UHFFFAOYSA-N
XLogP4.42
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-phenoxyanilino)ethyl] 3-amino-4-methoxybenzoate
CID 71863645
[2-oxo-2-(2-phenoxyanilino)ethyl] 4-bromo-3,5-dimethoxybenzoate
CID 27988252
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 7991426
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 18195720
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 7838043
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate
CID 41174435
(2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate
CID 8702579
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-fluoro-4-methoxybenzoate
CID 7522915
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540699
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 55397543
[2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991360
[2-(3-bromoanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991384

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate?
The IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate (CID 8702272) is [2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)cc1F.
What is the InChIKey of [2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate?
The InChIKey is RYEUCUIGNNLWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO5/c1-27-19-12-11-15(13-17(19)23)22(26)28-14-21(25)24-18-9-5-6-10-20(18)29-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,25).
What are the key properties of [2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate?
[2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate has a molecular weight of 395.39 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 8702272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).