dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate

C20H18Cl3NO6 — CID 17117499

IUPACdimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc(C(=O)OC)c1
InChIInChI=1S/C20H18Cl3NO6/c1-9-15(21)10(2)17(23)18(16(9)22)30-8-14(25)24-13-6-11(19(26)28-3)5-12(7-13)20(27)29-4/h5-7H,8H2,1-4H3,(H,24,25)
InChIKeySEUGSOIUZVLZCF-UHFFFAOYSA-N
MW474.72 g/mol
LogP4.85
Rot. Bonds6

About dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate (PubChem CID 17117499) has the molecular formula C20H18Cl3NO6 and a molecular weight of 474.72 g/mol. Its IUPAC name is dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
PubChem CID17117499
Molecular FormulaC20H18Cl3NO6
Molecular Weight474.72 g/mol
Exact Mass473.02
IUPAC Namedimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc(C(=O)OC)c1
InChIInChI=1S/C20H18Cl3NO6/c1-9-15(21)10(2)17(23)18(16(9)22)30-8-14(25)24-13-6-11(19(26)28-3)5-12(7-13)20(27)29-4/h5-7H,8H2,1-4H3,(H,24,25)
InChIKeySEUGSOIUZVLZCF-UHFFFAOYSA-N
XLogP4.85
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.72
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 4899815
methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate
CID 134065126
N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17117574
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 4665308
N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 22777920
dimethyl 5-[[2-(2-methylpropanoyloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 7782389
dimethyl 5-[[5-[3,5-bis(methoxycarbonyl)anilino]-5-oxopentanoyl]amino]benzene-1,3-dicarboxylate
CID 4100677
dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 7867251
dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711605
dimethyl 5-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711603
dimethyl 5-(3-methylbutanoylamino)benzene-1,3-dicarboxylate
CID 694694
dimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 17376207

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate (CID 17117499) is dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is SEUGSOIUZVLZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl3NO6/c1-9-15(21)10(2)17(23)18(16(9)22)30-8-14(25)24-13-6-11(19(26)28-3)5-12(7-13)20(27)29-4/h5-7H,8H2,1-4H3,(H,24,25).
What are the key properties of dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 474.72 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 17117499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).