ethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate

C20H19BrFNO6 — CID 30033896

IUPACethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)COC(=O)COc1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C20H19BrFNO6/c1-2-27-19(25)11-23(15-6-4-3-5-7-15)18(24)12-29-20(26)13-28-17-9-8-14(22)10-16(17)21/h3-10H,2,11-13H2,1H3
InChIKeyQNMHRAZTHYFVBE-UHFFFAOYSA-N
MW468.28 g/mol
LogP3.11
Rot. Bonds9

About ethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate

ethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate (PubChem CID 30033896) has the molecular formula C20H19BrFNO6 and a molecular weight of 468.28 g/mol. Its IUPAC name is ethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate
PubChem CID30033896
Molecular FormulaC20H19BrFNO6
Molecular Weight468.28 g/mol
Exact Mass467.04
IUPAC Nameethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)COC(=O)COc1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C20H19BrFNO6/c1-2-27-19(25)11-23(15-6-4-3-5-7-15)18(24)12-29-20(26)13-28-17-9-8-14(22)10-16(17)21/h3-10H,2,11-13H2,1H3
InChIKeyQNMHRAZTHYFVBE-UHFFFAOYSA-N
XLogP3.11
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 46821644
propyl 2-(2-bromo-4-fluorophenoxy)acetate
CID 78907900
ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate
CID 55318197
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525751
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid
CID 43239764
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55316893
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate
CID 55324833
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42976059
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525714
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 55306615
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525761
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327946

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate?
The IUPAC name of ethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate (CID 30033896) is ethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate is CCOC(=O)CN(C(=O)COC(=O)COc1ccc(F)cc1Br)c1ccccc1.
What is the InChIKey of ethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate?
The InChIKey is QNMHRAZTHYFVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFNO6/c1-2-27-19(25)11-23(15-6-4-3-5-7-15)18(24)12-29-20(26)13-28-17-9-8-14(22)10-16(17)21/h3-10H,2,11-13H2,1H3.
What are the key properties of ethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate?
ethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate has a molecular weight of 468.28 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate is sourced from PubChem (CID 30033896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).