ethyl 2-(3-fluoroanilino)-2-phenylacetate

C16H16FNO2 — CID 2891831

IUPACethyl 2-(3-fluoroanilino)-2-phenylacetate
SMILESCCOC(=O)C(Nc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H16FNO2/c1-2-20-16(19)15(12-7-4-3-5-8-12)18-14-10-6-9-13(17)11-14/h3-11,15,18H,2H2,1H3
InChIKeyKHKRXSXTKPPCSI-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.54
Rot. Bonds5

About ethyl 2-(3-fluoroanilino)-2-phenylacetate

ethyl 2-(3-fluoroanilino)-2-phenylacetate (PubChem CID 2891831) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is ethyl 2-(3-fluoroanilino)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(3-fluoroanilino)-2-phenylacetate
PubChem CID2891831
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Nameethyl 2-(3-fluoroanilino)-2-phenylacetate
SMILESCCOC(=O)C(Nc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H16FNO2/c1-2-20-16(19)15(12-7-4-3-5-8-12)18-14-10-6-9-13(17)11-14/h3-11,15,18H,2H2,1H3
InChIKeyKHKRXSXTKPPCSI-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoroanilino)-2-phenylacetate?
The IUPAC name of ethyl 2-(3-fluoroanilino)-2-phenylacetate (CID 2891831) is ethyl 2-(3-fluoroanilino)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(3-fluoroanilino)-2-phenylacetate?
The canonical SMILES for ethyl 2-(3-fluoroanilino)-2-phenylacetate is CCOC(=O)C(Nc1cccc(F)c1)c1ccccc1.
What is the InChIKey of ethyl 2-(3-fluoroanilino)-2-phenylacetate?
The InChIKey is KHKRXSXTKPPCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-2-20-16(19)15(12-7-4-3-5-8-12)18-14-10-6-9-13(17)11-14/h3-11,15,18H,2H2,1H3.
What are the key properties of ethyl 2-(3-fluoroanilino)-2-phenylacetate?
ethyl 2-(3-fluoroanilino)-2-phenylacetate has a molecular weight of 273.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoroanilino)-2-phenylacetate is sourced from PubChem (CID 2891831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).