[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate

C17H15F2NO4 — CID 2555443

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15F2NO4/c1-11-4-2-3-5-15(11)23-10-17(22)24-9-16(21)20-14-7-6-12(18)8-13(14)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyXURAHYNNBJCQKS-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.83
Rot. Bonds6

About [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate

[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (PubChem CID 2555443) has the molecular formula C17H15F2NO4 and a molecular weight of 335.31 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
PubChem CID2555443
Molecular FormulaC17H15F2NO4
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15F2NO4/c1-11-4-2-3-5-15(11)23-10-17(22)24-9-16(21)20-14-7-6-12(18)8-13(14)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyXURAHYNNBJCQKS-UHFFFAOYSA-N
XLogP2.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)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-difluoroanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 2593344
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234812
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732362
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555539
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 35564996
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588876
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767835
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 7842401

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (CID 2555443) is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is XURAHYNNBJCQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO4/c1-11-4-2-3-5-15(11)23-10-17(22)24-9-16(21)20-14-7-6-12(18)8-13(14)19/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 335.31 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 2555443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).