ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate

C16H16FNO3 — CID 61001373

IUPACethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate
SMILESCCOC(=O)C(Nc1ccccc1F)c1ccc(O)cc1
InChIInChI=1S/C16H16FNO3/c1-2-21-16(20)15(11-7-9-12(19)10-8-11)18-14-6-4-3-5-13(14)17/h3-10,15,18-19H,2H2,1H3
InChIKeyUIVYKGXBTVUALA-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.25
Rot. Bonds5

About ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate

ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate (PubChem CID 61001373) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate
PubChem CID61001373
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Nameethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate
SMILESCCOC(=O)C(Nc1ccccc1F)c1ccc(O)cc1
InChIInChI=1S/C16H16FNO3/c1-2-21-16(20)15(11-7-9-12(19)10-8-11)18-14-6-4-3-5-13(14)17/h3-10,15,18-19H,2H2,1H3
InChIKeyUIVYKGXBTVUALA-UHFFFAOYSA-N
XLogP3.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate
CID 103715582
ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 61001750
2-(4-ethylphenyl)-2-(2-fluoroanilino)acetamide
CID 60997046
2-(2-fluoroanilino)butanamide
CID 60995502
ethyl 2-(2-fluoroanilino)heptanoate
CID 54890514
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate
CID 93477748
2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
CID 60993465
ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate
CID 54889988
2-(2-fluoroanilino)-2-(4-fluoro-3-methylphenyl)acetamide
CID 62122201
ethyl 2-(2,4-dimethylanilino)-2-phenylacetate
CID 103600909

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate (CID 61001373) is ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate is CCOC(=O)C(Nc1ccccc1F)c1ccc(O)cc1.
What is the InChIKey of ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate?
The InChIKey is UIVYKGXBTVUALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-2-21-16(20)15(11-7-9-12(19)10-8-11)18-14-6-4-3-5-13(14)17/h3-10,15,18-19H,2H2,1H3.
What are the key properties of ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate?
ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate has a molecular weight of 289.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 61001373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).