[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate

C20H20FNO4 — CID 9485168

IUPAC[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCC(C)C(=O)Nc1ccc(C(=O)COC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C20H20FNO4/c1-13(2)20(25)22-16-9-7-14(8-10-16)18(23)12-26-19(24)11-15-5-3-4-6-17(15)21/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyIBCBZVHBXIIDPU-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.39
Rot. Bonds7

About [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 9485168) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID9485168
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCC(C)C(=O)Nc1ccc(C(=O)COC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C20H20FNO4/c1-13(2)20(25)22-16-9-7-14(8-10-16)18(23)12-26-19(24)11-15-5-3-4-6-17(15)21/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyIBCBZVHBXIIDPU-UHFFFAOYSA-N
XLogP3.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 23904314
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 7796305
methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7796353
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983066
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731450
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676191
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544721
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate
CID 9487871
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 9457911
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 9457373
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7432871
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 40747705

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 9485168) is [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate is CC(C)C(=O)Nc1ccc(C(=O)COC(=O)Cc2ccccc2F)cc1.
What is the InChIKey of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is IBCBZVHBXIIDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-13(2)20(25)22-16-9-7-14(8-10-16)18(23)12-26-19(24)11-15-5-3-4-6-17(15)21/h3-10,13H,11-12H2,1-2H3,(H,22,25).
What are the key properties of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 357.38 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 9485168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).