[2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate

C16H14FNO3 — CID 2335247

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FNO3/c17-13-6-8-14(9-7-13)18-15(19)11-21-16(20)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
InChIKeyAMRCFCHKAYBVTB-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.55
Rot. Bonds5

About [2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate

[2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate (PubChem CID 2335247) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate
PubChem CID2335247
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FNO3/c17-13-6-8-14(9-7-13)18-15(19)11-21-16(20)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
InChIKeyAMRCFCHKAYBVTB-UHFFFAOYSA-N
XLogP2.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate (CID 2335247) is [2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate is O=C(COC(=O)Cc1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate?
The InChIKey is AMRCFCHKAYBVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-13-6-8-14(9-7-13)18-15(19)11-21-16(20)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate?
[2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate has a molecular weight of 287.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 2335247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).