[2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate

C16H13FINO4 — CID 23855950

IUPAC[2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(F)c1)Nc1ccc(I)cc1
InChIInChI=1S/C16H13FINO4/c17-11-2-1-3-14(8-11)22-10-16(21)23-9-15(20)19-13-6-4-12(18)5-7-13/h1-8H,9-10H2,(H,19,20)
InChIKeyZDYODJFCVZGTHA-UHFFFAOYSA-N
MW429.19 g/mol
LogP2.99
Rot. Bonds6

About [2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate

[2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate (PubChem CID 23855950) has the molecular formula C16H13FINO4 and a molecular weight of 429.19 g/mol. Its IUPAC name is [2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
PubChem CID23855950
Molecular FormulaC16H13FINO4
Molecular Weight429.19 g/mol
Exact Mass428.99
IUPAC Name[2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(F)c1)Nc1ccc(I)cc1
InChIInChI=1S/C16H13FINO4/c17-11-2-1-3-14(8-11)22-10-16(21)23-9-15(20)19-13-6-4-12(18)5-7-13/h1-8H,9-10H2,(H,19,20)
InChIKeyZDYODJFCVZGTHA-UHFFFAOYSA-N
XLogP2.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.19
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate 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-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
CID 8915415
[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-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915777
[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2485751
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
[2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate
CID 55327028
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915200
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 4175549
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915570
[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 23964696
N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide
CID 2709478

Frequently Asked Questions

What is the IUPAC name of [2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The IUPAC name of [2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate (CID 23855950) is [2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate.
What is the SMILES notation for [2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The canonical SMILES for [2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate is O=C(COC(=O)COc1cccc(F)c1)Nc1ccc(I)cc1.
What is the InChIKey of [2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The InChIKey is ZDYODJFCVZGTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FINO4/c17-11-2-1-3-14(8-11)22-10-16(21)23-9-15(20)19-13-6-4-12(18)5-7-13/h1-8H,9-10H2,(H,19,20).
What are the key properties of [2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
[2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate has a molecular weight of 429.19 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate is sourced from PubChem (CID 23855950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).