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

C17H13Cl2NO5 — CID 1279607

IUPACdimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H13Cl2NO5/c1-24-16(22)9-3-5-11(17(23)25-2)14(7-9)20-15(21)12-8-10(18)4-6-13(12)19/h3-8H,1-2H3,(H,20,21)
InChIKeyWKHZDFXXVNGQBR-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.82
Rot. Bonds4

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

dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate (PubChem CID 1279607) has the molecular formula C17H13Cl2NO5 and a molecular weight of 382.20 g/mol. Its IUPAC name is dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
PubChem CID1279607
Molecular FormulaC17H13Cl2NO5
Molecular Weight382.20 g/mol
Exact Mass381.02
IUPAC Namedimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H13Cl2NO5/c1-24-16(22)9-3-5-11(17(23)25-2)14(7-9)20-15(21)12-8-10(18)4-6-13(12)19/h3-8H,1-2H3,(H,20,21)
InChIKeyWKHZDFXXVNGQBR-UHFFFAOYSA-N
XLogP3.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.82
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
dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 4804810
dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 2209325
dimethyl 2-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]benzene-1,4-dicarboxylate
CID 45030421
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 2440555
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzoate
CID 5341379
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate
CID 106852836
dimethyl 2-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 4124559
methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-[(3-methylthiophene-2-carbonyl)amino]benzoate
CID 4850828
methyl 2-[(5-bromofuran-2-carbonyl)amino]-4-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 171985742

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate (CID 1279607) is dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate?
The InChIKey is WKHZDFXXVNGQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO5/c1-24-16(22)9-3-5-11(17(23)25-2)14(7-9)20-15(21)12-8-10(18)4-6-13(12)19/h3-8H,1-2H3,(H,20,21).
What are the key properties of dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate?
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate has a molecular weight of 382.20 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 1279607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).