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

C16H14FNO4 — CID 2485751

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FNO4/c17-12-6-8-13(9-7-12)18-15(19)10-22-16(20)11-21-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19)
InChIKeyJSBPNUIOPHODFR-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.39
Rot. Bonds6

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

[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate (PubChem CID 2485751) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
PubChem CID2485751
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FNO4/c17-12-6-8-13(9-7-12)18-15(19)10-22-16(20)11-21-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19)
InChIKeyJSBPNUIOPHODFR-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

Analyze [2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791750
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791695
(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
CID 8915415
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2506763
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2506722
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506688
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982473
[2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 23855950
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915640
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8911027
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate
CID 8915553
1-(4-fluorophenyl)-3-[(2-phenoxyacetyl)amino]thiourea
CID 730484

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate (CID 2485751) is [2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate is O=C(COC(=O)COc1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is JSBPNUIOPHODFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4/c17-12-6-8-13(9-7-12)18-15(19)10-22-16(20)11-21-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate?
[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate 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-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate is sourced from PubChem (CID 2485751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).