ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate

C11H10F4N2O3 — CID 103601355

IUPACethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H10F4N2O3/c1-2-20-7(18)4-16-11(19)17-10-8(14)5(12)3-6(13)9(10)15/h3H,2,4H2,1H3,(H2,16,17,19)
InChIKeyGGSSPQBZLDSQJI-UHFFFAOYSA-N
MW294.20 g/mol
LogP1.93
Rot. Bonds4

About ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate

ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate (PubChem CID 103601355) has the molecular formula C11H10F4N2O3 and a molecular weight of 294.20 g/mol. Its IUPAC name is ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate
PubChem CID103601355
Molecular FormulaC11H10F4N2O3
Molecular Weight294.20 g/mol
Exact Mass294.06
IUPAC Nameethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H10F4N2O3/c1-2-20-7(18)4-16-11(19)17-10-8(14)5(12)3-6(13)9(10)15/h3H,2,4H2,1H3,(H2,16,17,19)
InChIKeyGGSSPQBZLDSQJI-UHFFFAOYSA-N
XLogP1.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
CID 17174426
ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate
CID 62813455
ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate
CID 43385057
ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate
CID 63186625
2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid
CID 63112385
3,5-dibromo-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 63112343
ethyl 2-[(3,4,5-trifluorophenyl)methylamino]acetate
CID 63050540
2-methyl-3-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]propanoic acid
CID 107642223
ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate
CID 60706555
2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107646149
2-methyl-2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]butanoic acid
CID 107642257
ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate
CID 107589554

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate (CID 103601355) is ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate?
The InChIKey is GGSSPQBZLDSQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2O3/c1-2-20-7(18)4-16-11(19)17-10-8(14)5(12)3-6(13)9(10)15/h3H,2,4H2,1H3,(H2,16,17,19).
What are the key properties of ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate?
ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate has a molecular weight of 294.20 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate is sourced from PubChem (CID 103601355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).