2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate

C19H20FNO4 — CID 55316806

IUPAC2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESCCc1cccc(OCCOC(=O)CNC(=O)c2ccccc2F)c1
InChIInChI=1S/C19H20FNO4/c1-2-14-6-5-7-15(12-14)24-10-11-25-18(22)13-21-19(23)16-8-3-4-9-17(16)20/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)
InChIKeyXGVHIQWXQHIWNO-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.74
Rot. Bonds8

About 2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate

2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 55316806) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID55316806
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESCCc1cccc(OCCOC(=O)CNC(=O)c2ccccc2F)c1
InChIInChI=1S/C19H20FNO4/c1-2-14-6-5-7-15(12-14)24-10-11-25-18(22)13-21-19(23)16-8-3-4-9-17(16)20/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)
InChIKeyXGVHIQWXQHIWNO-UHFFFAOYSA-N
XLogP2.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 55303914
2-(3-ethylphenoxy)ethyl 2-(2-fluorophenoxy)acetate
CID 55316441
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
hexadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422554
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546
heptadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422555
2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807719
2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16526656
2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate
CID 55307071
2-(3-ethylphenoxy)ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 55320538
1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea
CID 112971923
2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662514

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of 2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate (CID 55316806) is 2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for 2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for 2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate is CCc1cccc(OCCOC(=O)CNC(=O)c2ccccc2F)c1.
What is the InChIKey of 2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is XGVHIQWXQHIWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-2-14-6-5-7-15(12-14)24-10-11-25-18(22)13-21-19(23)16-8-3-4-9-17(16)20/h3-9,12H,2,10-11,13H2,1H3,(H,21,23).
What are the key properties of 2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate?
2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 345.37 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 55316806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).