[2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate

C23H20FNO3 — CID 2385792

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESO=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C23H20FNO3/c24-19-12-7-13-20(14-19)25-22(26)16-28-23(27)15-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,21H,15-16H2,(H,25,26)
InChIKeyBZIHHPIMZYKRFX-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.53
Rot. Bonds7

About [2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate

[2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate (PubChem CID 2385792) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
PubChem CID2385792
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESO=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C23H20FNO3/c24-19-12-7-13-20(14-19)25-22(26)16-28-23(27)15-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,21H,15-16H2,(H,25,26)
InChIKeyBZIHHPIMZYKRFX-UHFFFAOYSA-N
XLogP4.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate (CID 2385792) is [2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate is O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The InChIKey is BZIHHPIMZYKRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c24-19-12-7-13-20(14-19)25-22(26)16-28-23(27)15-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,21H,15-16H2,(H,25,26).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
[2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate has a molecular weight of 377.42 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate is sourced from PubChem (CID 2385792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).