[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate

C18H17FN2O5 — CID 7791750

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O5/c1-12(22)20-14-4-6-15(7-5-14)21-17(23)10-26-18(24)11-25-16-8-2-13(19)3-9-16/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyZSAGIPHAGCZJHJ-UHFFFAOYSA-N
MW360.34 g/mol
LogP2.34
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate (PubChem CID 7791750) has the molecular formula C18H17FN2O5 and a molecular weight of 360.34 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
PubChem CID7791750
Molecular FormulaC18H17FN2O5
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O5/c1-12(22)20-14-4-6-15(7-5-14)21-17(23)10-26-18(24)11-25-16-8-2-13(19)3-9-16/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyZSAGIPHAGCZJHJ-UHFFFAOYSA-N
XLogP2.34
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2485751
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791695
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 71820864
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 29378856
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273946
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791448
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate (CID 7791750) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate is CC(=O)Nc1ccc(NC(=O)COC(=O)COc2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The InChIKey is ZSAGIPHAGCZJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O5/c1-12(22)20-14-4-6-15(7-5-14)21-17(23)10-26-18(24)11-25-16-8-2-13(19)3-9-16/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate has a molecular weight of 360.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 7791750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).