[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate

C19H19Br2NO4 — CID 35590043

IUPAC[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
SMILESCc1cc(Br)c(NC(=O)COC(=O)COc2cc(C)ccc2C)c(Br)c1
InChIInChI=1S/C19H19Br2NO4/c1-11-4-5-13(3)16(8-11)25-10-18(24)26-9-17(23)22-19-14(20)6-12(2)7-15(19)21/h4-8H,9-10H2,1-3H3,(H,22,23)
InChIKeyLVGMIRLQFIDQEH-UHFFFAOYSA-N
MW485.17 g/mol
LogP4.70
Rot. Bonds6

About [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate

[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate (PubChem CID 35590043) 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-(2,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
PubChem CID35590043
Molecular FormulaC19H19Br2NO4
Molecular Weight485.17 g/mol
Exact Mass482.97
IUPAC Name[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
SMILESCc1cc(Br)c(NC(=O)COC(=O)COc2cc(C)ccc2C)c(Br)c1
InChIInChI=1S/C19H19Br2NO4/c1-11-4-5-13(3)16(8-11)25-10-18(24)26-9-17(23)22-19-14(20)6-12(2)7-15(19)21/h4-8H,9-10H2,1-3H3,(H,22,23)
InChIKeyLVGMIRLQFIDQEH-UHFFFAOYSA-N
XLogP4.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.17
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918872
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8919045
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 29334504
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918544
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 1188241
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814259
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8919136
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8917922
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839428
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 40706586

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
The IUPAC name of [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate (CID 35590043) is [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate.
What is the SMILES notation for [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
The canonical SMILES for [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate is Cc1cc(Br)c(NC(=O)COC(=O)COc2cc(C)ccc2C)c(Br)c1.
What is the InChIKey of [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
The InChIKey is LVGMIRLQFIDQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2NO4/c1-11-4-5-13(3)16(8-11)25-10-18(24)26-9-17(23)22-19-14(20)6-12(2)7-15(19)21/h4-8H,9-10H2,1-3H3,(H,22,23).
What are the key properties of [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate has a molecular weight of 485.17 g/mol, XLogP of 4.70, 6 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-(2,5-dimethylphenoxy)acetate is sourced from PubChem (CID 35590043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).