[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate

C16H12Cl2FNO4 — CID 8915570

IUPAC[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(F)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2FNO4/c17-10-4-5-14(13(18)6-10)20-15(21)8-24-16(22)9-23-12-3-1-2-11(19)7-12/h1-7H,8-9H2,(H,20,21)
InChIKeyZADMLRJVNYZKTH-UHFFFAOYSA-N
MW372.18 g/mol
LogP3.69
Rot. Bonds6

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

[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate (PubChem CID 8915570) has the molecular formula C16H12Cl2FNO4 and a molecular weight of 372.18 g/mol. Its IUPAC name is [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
PubChem CID8915570
Molecular FormulaC16H12Cl2FNO4
Molecular Weight372.18 g/mol
Exact Mass371.01
IUPAC Name[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(F)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2FNO4/c17-10-4-5-14(13(18)6-10)20-15(21)8-24-16(22)9-23-12-3-1-2-11(19)7-12/h1-7H,8-9H2,(H,20,21)
InChIKeyZADMLRJVNYZKTH-UHFFFAOYSA-N
XLogP3.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,4-dichloroanilino)-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-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803669
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803951
N-(4-bromo-2-chlorophenyl)-2-(3-fluorophenoxy)acetamide
CID 8863320
(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
CID 8915415
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915200
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2506722
N-(2-amino-4-fluorophenyl)-2-(3-fluorophenoxy)acetamide
CID 16796146
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803923
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4854024
N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2710232
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 40564745

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate (CID 8915570) is [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate.
What is the SMILES notation for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The canonical SMILES for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate is O=C(COC(=O)COc1cccc(F)c1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The InChIKey is ZADMLRJVNYZKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNO4/c17-10-4-5-14(13(18)6-10)20-15(21)8-24-16(22)9-23-12-3-1-2-11(19)7-12/h1-7H,8-9H2,(H,20,21).
What are the key properties of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate has a molecular weight of 372.18 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate is sourced from PubChem (CID 8915570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).