(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate

C16H14FNO4 — CID 8915415

IUPAC(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(F)c1)Nc1ccccc1
InChIInChI=1S/C16H14FNO4/c17-12-5-4-8-14(9-12)21-11-16(20)22-10-15(19)18-13-6-2-1-3-7-13/h1-9H,10-11H2,(H,18,19)
InChIKeyBHLXYYBEBSFKKE-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.39
Rot. Bonds6

About (2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate

(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate (PubChem CID 8915415) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
PubChem CID8915415
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Name(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(F)c1)Nc1ccccc1
InChIInChI=1S/C16H14FNO4/c17-12-5-4-8-14(9-12)21-11-16(20)22-10-15(19)18-13-6-2-1-3-7-13/h1-9H,10-11H2,(H,18,19)
InChIKeyBHLXYYBEBSFKKE-UHFFFAOYSA-N
XLogP2.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
[2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 23855950
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate
CID 8915553
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915640
[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2485751
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915777
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 4175549
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915200
(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 1409589
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915570
N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
CID 16784462
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2506722

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate (CID 8915415) is (2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate is O=C(COC(=O)COc1cccc(F)c1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate?
The InChIKey is BHLXYYBEBSFKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4/c17-12-5-4-8-14(9-12)21-11-16(20)22-10-15(19)18-13-6-2-1-3-7-13/h1-9H,10-11H2,(H,18,19).
What are the key properties of (2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate?
(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate has a molecular weight of 303.29 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate is sourced from PubChem (CID 8915415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).