[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

C21H24FNO4 — CID 2126349

IUPAC[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C21H24FNO4/c1-21(2,3)15-9-10-18(26-4)17(12-15)23-19(24)13-27-20(25)11-14-7-5-6-8-16(14)22/h5-10,12H,11,13H2,1-4H3,(H,23,24)
InChIKeyRXUCXVKVUOHURZ-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.86
Rot. Bonds6

About [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 2126349) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID2126349
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C21H24FNO4/c1-21(2,3)15-9-10-18(26-4)17(12-15)23-19(24)13-27-20(25)11-14-7-5-6-8-16(14)22/h5-10,12H,11,13H2,1-4H3,(H,23,24)
InChIKeyRXUCXVKVUOHURZ-UHFFFAOYSA-N
XLogP3.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 7796356
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2336998
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-chlorobenzoate
CID 3394111
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544790
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)acetamide
CID 1228251
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2335761
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8958204
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2399525
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate
CID 7796348

Frequently Asked Questions

What is the IUPAC name of [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 2126349) is [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)Cc1ccccc1F.
What is the InChIKey of [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is RXUCXVKVUOHURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-21(2,3)15-9-10-18(26-4)17(12-15)23-19(24)13-27-20(25)11-14-7-5-6-8-16(14)22/h5-10,12H,11,13H2,1-4H3,(H,23,24).
What are the key properties of [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 373.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 2126349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).