[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate

C21H24FNO4 — CID 7856024

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
SMILESCC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H24FNO4/c1-21(2,3)15-4-10-18(11-5-15)26-13-12-20(25)27-14-19(24)23-17-8-6-16(22)7-9-17/h4-11H,12-14H2,1-3H3,(H,23,24)
InChIKeyRETBWNGOLKQDEY-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.07
Rot. Bonds7

About [2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate

[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate (PubChem CID 7856024) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
PubChem CID7856024
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
SMILESCC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H24FNO4/c1-21(2,3)15-4-10-18(11-5-15)26-13-12-20(25)27-14-19(24)23-17-8-6-16(22)7-9-17/h4-11H,12-14H2,1-3H3,(H,23,24)
InChIKeyRETBWNGOLKQDEY-UHFFFAOYSA-N
XLogP4.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 9329071
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 29378856
[2-(4-tert-butylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841562
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856014
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856033
[2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 9328974
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791750
[2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856676
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate
CID 16534909
[2-(2-chloroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856011
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139564
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate (CID 7856024) is [2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate is CC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate?
The InChIKey is RETBWNGOLKQDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-21(2,3)15-4-10-18(11-5-15)26-13-12-20(25)27-14-19(24)23-17-8-6-16(22)7-9-17/h4-11H,12-14H2,1-3H3,(H,23,24).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate?
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate has a molecular weight of 373.42 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate is sourced from PubChem (CID 7856024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).