1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide

C20H20Cl2N2O4 — CID 145278728

IUPAC1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)N(C)Cc2c(Cl)cccc2Cl)c(C=O)c1
InChIInChI=1S/C20H20Cl2N2O4/c1-24(11-16-17(21)4-3-5-18(16)22)20(27)15-7-6-13(10-14(15)12-25)19(26)23-8-9-28-2/h3-7,10,12H,8-9,11H2,1-2H3,(H,23,26)
InChIKeyAUEUUJANRBNNRS-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.45
Rot. Bonds8

About 1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide

1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide (PubChem CID 145278728) has the molecular formula C20H20Cl2N2O4 and a molecular weight of 423.30 g/mol. Its IUPAC name is 1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide
PubChem CID145278728
Molecular FormulaC20H20Cl2N2O4
Molecular Weight423.30 g/mol
Exact Mass422.08
IUPAC Name1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)N(C)Cc2c(Cl)cccc2Cl)c(C=O)c1
InChIInChI=1S/C20H20Cl2N2O4/c1-24(11-16-17(21)4-3-5-18(16)22)20(27)15-7-6-13(10-14(15)12-25)19(26)23-8-9-28-2/h3-7,10,12H,8-9,11H2,1-2H3,(H,23,26)
InChIKeyAUEUUJANRBNNRS-UHFFFAOYSA-N
XLogP3.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109052503
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylbenzamide
CID 55997962
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052499
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 171547538
3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
CID 13387095
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-(cyanomethyl)-N-(2-methoxyethyl)benzamide
CID 59900568
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide (CID 145278728) is 1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide is COCCNC(=O)c1ccc(C(=O)N(C)Cc2c(Cl)cccc2Cl)c(C=O)c1.
What is the InChIKey of 1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is AUEUUJANRBNNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4/c1-24(11-16-17(21)4-3-5-18(16)22)20(27)15-7-6-13(10-14(15)12-25)19(26)23-8-9-28-2/h3-7,10,12H,8-9,11H2,1-2H3,(H,23,26).
What are the key properties of 1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide?
1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 423.30 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,6-dichlorophenyl)methyl]-2-formyl-4-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 145278728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).