[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate

C17H15F2NO5 — CID 2555202

IUPAC[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate
SMILESCOc1cc(NC(=O)COC(=O)c2ccc(F)cc2F)cc(OC)c1
InChIInChI=1S/C17H15F2NO5/c1-23-12-6-11(7-13(8-12)24-2)20-16(21)9-25-17(22)14-4-3-10(18)5-15(14)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyKGFDDDJTMIPCTO-UHFFFAOYSA-N
MW351.31 g/mol
LogP2.78
Rot. Bonds6

About [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate (PubChem CID 2555202) has the molecular formula C17H15F2NO5 and a molecular weight of 351.31 g/mol. Its IUPAC name is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate.

Molecular Properties

Compound Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate
PubChem CID2555202
Molecular FormulaC17H15F2NO5
Molecular Weight351.31 g/mol
Exact Mass351.09
IUPAC Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate
SMILESCOc1cc(NC(=O)COC(=O)c2ccc(F)cc2F)cc(OC)c1
InChIInChI=1S/C17H15F2NO5/c1-23-12-6-11(7-13(8-12)24-2)20-16(21)9-25-17(22)14-4-3-10(18)5-15(14)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyKGFDDDJTMIPCTO-UHFFFAOYSA-N
XLogP2.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate 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-(3,5-dimethylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2349892
[2-(4-methylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555000
[2-(4-ethylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887494
[2-(4-methoxyanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925007
[2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate
CID 7951628
[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2427280
[2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555034
[2-(3-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887503
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520086
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2,4-difluorobenzoate
CID 7604295
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 27625804
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 30312687

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate?
The IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate (CID 2555202) is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate.
What is the SMILES notation for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate?
The canonical SMILES for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate is COc1cc(NC(=O)COC(=O)c2ccc(F)cc2F)cc(OC)c1.
What is the InChIKey of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate?
The InChIKey is KGFDDDJTMIPCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO5/c1-23-12-6-11(7-13(8-12)24-2)20-16(21)9-25-17(22)14-4-3-10(18)5-15(14)19/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate?
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate has a molecular weight of 351.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate is sourced from PubChem (CID 2555202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).