[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate

C19H19Br2NO4 — CID 29334504

IUPAC[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCC(=O)Nc2c(Br)cc(C)cc2Br)cc1
InChIInChI=1S/C19H19Br2NO4/c1-3-13-4-6-14(7-5-13)25-11-18(24)26-10-17(23)22-19-15(20)8-12(2)9-16(19)21/h4-9H,3,10-11H2,1-2H3,(H,22,23)
InChIKeyGGDOATXTIWFKMA-UHFFFAOYSA-N
MW485.17 g/mol
LogP4.64
Rot. Bonds7

About [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate

[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate (PubChem CID 29334504) has the molecular formula C19H19Br2NO4 and a molecular weight of 485.17 g/mol. Its IUPAC name is [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
PubChem CID29334504
Molecular FormulaC19H19Br2NO4
Molecular Weight485.17 g/mol
Exact Mass482.97
IUPAC Name[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCC(=O)Nc2c(Br)cc(C)cc2Br)cc1
InChIInChI=1S/C19H19Br2NO4/c1-3-13-4-6-14(7-5-13)25-11-18(24)26-10-17(23)22-19-15(20)8-12(2)9-16(19)21/h4-9H,3,10-11H2,1-2H3,(H,22,23)
InChIKeyGGDOATXTIWFKMA-UHFFFAOYSA-N
XLogP4.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.17
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844747
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7845035
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 35590043
N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 26217402
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844696
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272330
2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 61035718
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate
CID 7844920
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326799
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-ethylphenoxy)acetohydrazide
CID 3376998
propyl 2-(4-ethylphenoxy)acetate
CID 78907907

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The IUPAC name of [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate (CID 29334504) is [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The canonical SMILES for [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)OCC(=O)Nc2c(Br)cc(C)cc2Br)cc1.
What is the InChIKey of [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The InChIKey is GGDOATXTIWFKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2NO4/c1-3-13-4-6-14(7-5-13)25-11-18(24)26-10-17(23)22-19-15(20)8-12(2)9-16(19)21/h4-9H,3,10-11H2,1-2H3,(H,22,23).
What are the key properties of [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate has a molecular weight of 485.17 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 29334504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).