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

C18H15Cl2NO5 — CID 4810799

IUPACdimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)OC)c1
InChIInChI=1S/C18H15Cl2NO5/c1-25-17(23)11-5-12(18(24)26-2)7-14(6-11)21-16(22)8-10-3-4-13(19)9-15(10)20/h3-7,9H,8H2,1-2H3,(H,21,22)
InChIKeyQJKAQNFUYQTNTN-UHFFFAOYSA-N
MW396.23 g/mol
LogP3.75
Rot. Bonds5

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

dimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate (PubChem CID 4810799) has the molecular formula C18H15Cl2NO5 and a molecular weight of 396.23 g/mol. Its IUPAC name is dimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate
PubChem CID4810799
Molecular FormulaC18H15Cl2NO5
Molecular Weight396.23 g/mol
Exact Mass395.03
IUPAC Namedimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)OC)c1
InChIInChI=1S/C18H15Cl2NO5/c1-25-17(23)11-5-12(18(24)26-2)7-14(6-11)21-16(22)8-10-3-4-13(19)9-15(10)20/h3-7,9H,8H2,1-2H3,(H,21,22)
InChIKeyQJKAQNFUYQTNTN-UHFFFAOYSA-N
XLogP3.75
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,4-dicarboxylate
CID 22388140
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
methyl 3-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43217500
dimethyl 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylate
CID 668857
N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914224
N-(3-acetamidophenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914502
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 55802304
2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 46553550
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
CID 62505130
methyl 4-[[3-(2,4-dichloroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956377
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
dimethyl 5-[[5-[3,5-bis(methoxycarbonyl)anilino]-5-oxopentanoyl]amino]benzene-1,3-dicarboxylate
CID 4100677

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate (CID 4810799) is dimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is QJKAQNFUYQTNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO5/c1-25-17(23)11-5-12(18(24)26-2)7-14(6-11)21-16(22)8-10-3-4-13(19)9-15(10)20/h3-7,9H,8H2,1-2H3,(H,21,22).
What are the key properties of dimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 396.23 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 4810799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).