[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

C20H20FNO5 — CID 9325956

IUPAC[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C20H20FNO5/c1-3-18(23)14-5-8-16(9-6-14)26-12-20(25)27-11-19(24)22-15-7-4-13(2)17(21)10-15/h4-10H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyUYBCBFSTWCELMD-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.29
Rot. Bonds8

About [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (PubChem CID 9325956) has the molecular formula C20H20FNO5 and a molecular weight of 373.38 g/mol. Its IUPAC name is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
PubChem CID9325956
Molecular FormulaC20H20FNO5
Molecular Weight373.38 g/mol
Exact Mass373.13
IUPAC Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C20H20FNO5/c1-3-18(23)14-5-8-16(9-6-14)26-12-20(25)27-11-19(24)22-15-7-4-13(2)17(21)10-15/h4-10H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyUYBCBFSTWCELMD-UHFFFAOYSA-N
XLogP3.29
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133058
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 7842786
[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326836
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326799
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326721
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326061
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855157
methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate
CID 7667243
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-oxo-4-(4-propylphenyl)butanoate
CID 7227096
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021076
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] pentanoate
CID 2458262
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 40719319

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (CID 9325956) is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is UYBCBFSTWCELMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO5/c1-3-18(23)14-5-8-16(9-6-14)26-12-20(25)27-11-19(24)22-15-7-4-13(2)17(21)10-15/h4-10H,3,11-12H2,1-2H3,(H,22,24).
What are the key properties of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 373.38 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 9325956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).