2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide

C18H18Cl2N2O4 — CID 4509528

IUPAC2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(C(C)=NNC(=O)COc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C18H18Cl2N2O4/c1-11(14-6-5-13(24-2)9-17(14)25-3)21-22-18(23)10-26-16-7-4-12(19)8-15(16)20/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyOFLRNQZETPQNJS-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.93
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide

2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide (PubChem CID 4509528) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide
PubChem CID4509528
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(C(C)=NNC(=O)COc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C18H18Cl2N2O4/c1-11(14-6-5-13(24-2)9-17(14)25-3)21-22-18(23)10-26-16-7-4-12(19)8-15(16)20/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyOFLRNQZETPQNJS-UHFFFAOYSA-N
XLogP3.93
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6015085
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 4121523
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 6027225
2-(2,4-dichlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1351524
2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4507808
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316157
2-(2,4-dichlorophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135490414
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1354153
2-(4-cyanophenoxy)-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 9316574
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]acetamide
CID 4582547
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7957341

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide (CID 4509528) is 2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide is COc1ccc(C(C)=NNC(=O)COc2ccc(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide?
The InChIKey is OFLRNQZETPQNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-11(14-6-5-13(24-2)9-17(14)25-3)21-22-18(23)10-26-16-7-4-12(19)8-15(16)20/h4-9H,10H2,1-3H3,(H,22,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide?
2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide has a molecular weight of 397.26 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 4509528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).