dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate

C18H15Cl2NO6 — CID 4804810

IUPACdimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H15Cl2NO6/c1-25-17(23)10-3-5-12(18(24)26-2)14(7-10)21-16(22)9-27-15-8-11(19)4-6-13(15)20/h3-8H,9H2,1-2H3,(H,21,22)
InChIKeyDAMMTXKBTMSWLQ-UHFFFAOYSA-N
MW412.23 g/mol
LogP3.58
Rot. Bonds6

About dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate (PubChem CID 4804810) has the molecular formula C18H15Cl2NO6 and a molecular weight of 412.23 g/mol. Its IUPAC name is dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
PubChem CID4804810
Molecular FormulaC18H15Cl2NO6
Molecular Weight412.23 g/mol
Exact Mass411.03
IUPAC Namedimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H15Cl2NO6/c1-25-17(23)10-3-5-12(18(24)26-2)14(7-10)21-16(22)9-27-15-8-11(19)4-6-13(15)20/h3-8H,9H2,1-2H3,(H,21,22)
InChIKeyDAMMTXKBTMSWLQ-UHFFFAOYSA-N
XLogP3.58
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2-[[2-(3-chlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 1184734
methyl 3-chloro-4-[2-(2,5-dichloroanilino)-2-oxoethoxy]benzoate
CID 55321046
dimethyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,4-dicarboxylate
CID 22388140
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
N-(2-chloro-4,5-dimethoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 24685752
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 724281
dimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 1126054
dimethyl 2-[[2-[[5-[(2,5-dichlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
CID 21167148
methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 8909813
2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 19169315
dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 2209325

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate (CID 4804810) is dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is DAMMTXKBTMSWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO6/c1-25-17(23)10-3-5-12(18(24)26-2)14(7-10)21-16(22)9-27-15-8-11(19)4-6-13(15)20/h3-8H,9H2,1-2H3,(H,21,22).
What are the key properties of dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 412.23 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 4804810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).