N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide

C18H16Cl2N2O4 — CID 78761861

IUPACN-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C18H16Cl2N2O4/c1-22(9-16(24)21-18-14(19)3-2-4-15(18)20)17(25)11-26-13-7-5-12(10-23)6-8-13/h2-8,10H,9,11H2,1H3,(H,21,24)
InChIKeyRLNWEZIYNYVUMA-UHFFFAOYSA-N
MW395.24 g/mol
LogP3.28
Rot. Bonds7

About N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide

N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide (PubChem CID 78761861) has the molecular formula C18H16Cl2N2O4 and a molecular weight of 395.24 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
PubChem CID78761861
Molecular FormulaC18H16Cl2N2O4
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC NameN-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C18H16Cl2N2O4/c1-22(9-16(24)21-18-14(19)3-2-4-15(18)20)17(25)11-26-13-7-5-12(10-23)6-8-13/h2-8,10H,9,11H2,1H3,(H,21,24)
InChIKeyRLNWEZIYNYVUMA-UHFFFAOYSA-N
XLogP3.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 30754679
N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
CID 78761830
N-(2,6-dimethylphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9437519
N-(2-chlorophenyl)-2-[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 7571615
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808957
N-(2-chlorophenyl)-2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetamide
CID 9409682
2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 37030746
3-[[2-(4-formylphenoxy)acetyl]-methylamino]propanoic acid
CID 82033015
2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 141365248
2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 26619648
N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
CID 25314167
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503620

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide (CID 78761861) is N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COc1ccc(C=O)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide?
The InChIKey is RLNWEZIYNYVUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4/c1-22(9-16(24)21-18-14(19)3-2-4-15(18)20)17(25)11-26-13-7-5-12(10-23)6-8-13/h2-8,10H,9,11H2,1H3,(H,21,24).
What are the key properties of N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide?
N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide has a molecular weight of 395.24 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide is sourced from PubChem (CID 78761861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).