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

C23H20FNO3 — CID 78536017

IUPAC[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate
SMILESCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H20FNO3/c1-16(22(26)25-20-14-12-19(24)13-15-20)28-23(27)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,21H,1H3,(H,25,26)
InChIKeyDXTIKOVWSAQFPL-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.53
Rot. Bonds6

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

[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate (PubChem CID 78536017) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate
PubChem CID78536017
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Name[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate
SMILESCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H20FNO3/c1-16(22(26)25-20-14-12-19(24)13-15-20)28-23(27)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,21H,1H3,(H,25,26)
InChIKeyDXTIKOVWSAQFPL-UHFFFAOYSA-N
XLogP4.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate?
The IUPAC name of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate (CID 78536017) is [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate.
What is the SMILES notation for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate?
The canonical SMILES for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate is CC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate?
The InChIKey is DXTIKOVWSAQFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c1-16(22(26)25-20-14-12-19(24)13-15-20)28-23(27)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,21H,1H3,(H,25,26).
What are the key properties of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate?
[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate has a molecular weight of 377.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate is sourced from PubChem (CID 78536017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).