2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

C25H24FNO5 — CID 18285361

IUPAC2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OCCOc2ccccc2F)cc1
InChIInChI=1S/C25H24FNO5/c1-30-19-13-10-18(11-14-19)12-15-24(28)27-22-8-4-2-6-20(22)25(29)32-17-16-31-23-9-5-3-7-21(23)26/h2-11,13-14H,12,15-17H2,1H3,(H,27,28)
InChIKeyJSCJVJTZANGVCG-UHFFFAOYSA-N
MW437.47 g/mol
LogP4.64
Rot. Bonds10

About 2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate (PubChem CID 18285361) has the molecular formula C25H24FNO5 and a molecular weight of 437.47 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
PubChem CID18285361
Molecular FormulaC25H24FNO5
Molecular Weight437.47 g/mol
Exact Mass437.16
IUPAC Name2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OCCOc2ccccc2F)cc1
InChIInChI=1S/C25H24FNO5/c1-30-19-13-10-18(11-14-19)12-15-24(28)27-22-8-4-2-6-20(22)25(29)32-17-16-31-23-9-5-3-7-21(23)26/h2-11,13-14H,12,15-17H2,1H3,(H,27,28)
InChIKeyJSCJVJTZANGVCG-UHFFFAOYSA-N
XLogP4.64
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 30052455
N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 19221044
methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548
(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 27042248
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982115
ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate
CID 19225981
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 18104014
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 2706279
2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate
CID 9139702
[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42981329
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982114

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate (CID 18285361) is 2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate is COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCCOc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The InChIKey is JSCJVJTZANGVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO5/c1-30-19-13-10-18(11-14-19)12-15-24(28)27-22-8-4-2-6-20(22)25(29)32-17-16-31-23-9-5-3-7-21(23)26/h2-11,13-14H,12,15-17H2,1H3,(H,27,28).
What are the key properties of 2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate has a molecular weight of 437.47 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate is sourced from PubChem (CID 18285361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).