[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate

C14H16F2N2O5 — CID 9289649

IUPAC[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O5/c1-2-22-8-14(21)23-7-13(20)17-6-12(19)18-9-3-4-10(15)11(16)5-9/h3-5H,2,6-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyYVXHCNDBRHBWMK-UHFFFAOYSA-N
MW330.29 g/mol
LogP0.60
Rot. Bonds8

About [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate

[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate (PubChem CID 9289649) has the molecular formula C14H16F2N2O5 and a molecular weight of 330.29 g/mol. Its IUPAC name is [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate.

Molecular Properties

Compound Name[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate
PubChem CID9289649
Molecular FormulaC14H16F2N2O5
Molecular Weight330.29 g/mol
Exact Mass330.10
IUPAC Name[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O5/c1-2-22-8-14(21)23-7-13(20)17-6-12(19)18-9-3-4-10(15)11(16)5-9/h3-5H,2,6-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyYVXHCNDBRHBWMK-UHFFFAOYSA-N
XLogP0.60
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229414
ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 113002353
ethyl 2-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]sulfanylacetate
CID 9286921
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667599
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 34306220
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290660
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 55401009
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631052
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 9019884
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 34301713
ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
CID 17174426

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate?
The IUPAC name of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate (CID 9289649) is [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate.
What is the SMILES notation for [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate?
The canonical SMILES for [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate is CCOCC(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate?
The InChIKey is YVXHCNDBRHBWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O5/c1-2-22-8-14(21)23-7-13(20)17-6-12(19)18-9-3-4-10(15)11(16)5-9/h3-5H,2,6-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate?
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate has a molecular weight of 330.29 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate is sourced from PubChem (CID 9289649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).