2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate

C24H22FNO5 — CID 30052455

IUPAC2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
SMILESCOc1ccc(CCOC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C24H22FNO5/c1-29-18-12-10-17(11-13-18)14-15-30-24(28)19-6-2-5-9-22(19)31-16-23(27)26-21-8-4-3-7-20(21)25/h2-13H,14-16H2,1H3,(H,26,27)
InChIKeyKEXLHXKHOJIJGM-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.25
Rot. Bonds9

About 2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate

2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate (PubChem CID 30052455) has the molecular formula C24H22FNO5 and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
PubChem CID30052455
Molecular FormulaC24H22FNO5
Molecular Weight423.44 g/mol
Exact Mass423.15
IUPAC Name2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
SMILESCOc1ccc(CCOC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C24H22FNO5/c1-29-18-12-10-17(11-13-18)14-15-30-24(28)19-6-2-5-9-22(19)31-16-23(27)26-21-8-4-3-7-20(21)25/h2-13H,14-16H2,1H3,(H,26,27)
InChIKeyKEXLHXKHOJIJGM-UHFFFAOYSA-N
XLogP4.25
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 33395881
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365359
2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 18285361
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173831
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26735156
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 42970641
methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate
CID 7763972
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 26695506
[2-(2-fluoroanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate
CID 46924950
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 55765507
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 43023216
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26457178

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
The IUPAC name of 2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate (CID 30052455) is 2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for 2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for 2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate is COc1ccc(CCOC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
The InChIKey is KEXLHXKHOJIJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO5/c1-29-18-12-10-17(11-13-18)14-15-30-24(28)19-6-2-5-9-22(19)31-16-23(27)26-21-8-4-3-7-20(21)25/h2-13H,14-16H2,1H3,(H,26,27).
What are the key properties of 2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate has a molecular weight of 423.44 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 30052455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).