2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide

C20H22Cl2N2O6 — CID 66829804

IUPAC2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1c(C(=O)Cc2c(Cl)cncc2Cl)ccc(OC)c1OC
InChIInChI=1S/C20H22Cl2N2O6/c1-27-7-6-24-18(26)11-30-19-12(4-5-17(28-2)20(19)29-3)16(25)8-13-14(21)9-23-10-15(13)22/h4-5,9-10H,6-8,11H2,1-3H3,(H,24,26)
InChIKeyMNVHICQKUBKNGT-UHFFFAOYSA-N
MW457.31 g/mol
LogP2.97
Rot. Bonds11

About 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide

2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide (PubChem CID 66829804) has the molecular formula C20H22Cl2N2O6 and a molecular weight of 457.31 g/mol. Its IUPAC name is 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide
PubChem CID66829804
Molecular FormulaC20H22Cl2N2O6
Molecular Weight457.31 g/mol
Exact Mass456.09
IUPAC Name2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1c(C(=O)Cc2c(Cl)cncc2Cl)ccc(OC)c1OC
InChIInChI=1S/C20H22Cl2N2O6/c1-27-7-6-24-18(26)11-30-19-12(4-5-17(28-2)20(19)29-3)16(25)8-13-14(21)9-23-10-15(13)22/h4-5,9-10H,6-8,11H2,1-3H3,(H,24,26)
InChIKeyMNVHICQKUBKNGT-UHFFFAOYSA-N
XLogP2.97
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide (CID 66829804) is 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1c(C(=O)Cc2c(Cl)cncc2Cl)ccc(OC)c1OC.
What is the InChIKey of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide?
The InChIKey is MNVHICQKUBKNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O6/c1-27-7-6-24-18(26)11-30-19-12(4-5-17(28-2)20(19)29-3)16(25)8-13-14(21)9-23-10-15(13)22/h4-5,9-10H,6-8,11H2,1-3H3,(H,24,26).
What are the key properties of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide?
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 457.31 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 66829804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).