[1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate

C24H22FNO3 — CID 118256641

IUPAC[1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate
SMILESCCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H22FNO3/c1-2-21(23(27)26-20-15-13-19(25)14-16-20)29-24(28)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21-22H,2H2,1H3,(H,26,27)
InChIKeyFEAIVFFTPIUDPU-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.92
Rot. Bonds7

About [1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate

[1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate (PubChem CID 118256641) has the molecular formula C24H22FNO3 and a molecular weight of 391.44 g/mol. Its IUPAC name is [1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate
PubChem CID118256641
Molecular FormulaC24H22FNO3
Molecular Weight391.44 g/mol
Exact Mass391.16
IUPAC Name[1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate
SMILESCCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H22FNO3/c1-2-21(23(27)26-20-15-13-19(25)14-16-20)29-24(28)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21-22H,2H2,1H3,(H,26,27)
InChIKeyFEAIVFFTPIUDPU-UHFFFAOYSA-N
XLogP4.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate?
The IUPAC name of [1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate (CID 118256641) is [1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate.
What is the SMILES notation for [1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate?
The canonical SMILES for [1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate is CCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of [1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate?
The InChIKey is FEAIVFFTPIUDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO3/c1-2-21(23(27)26-20-15-13-19(25)14-16-20)29-24(28)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21-22H,2H2,1H3,(H,26,27).
What are the key properties of [1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate?
[1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate has a molecular weight of 391.44 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate is sourced from PubChem (CID 118256641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).