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

C19H20Cl2N2O6 — CID 66829650

IUPAC2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-hydroxyethyl)acetamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)NCCO)c1OC
InChIInChI=1S/C19H20Cl2N2O6/c1-27-16-4-3-11(15(25)7-12-13(20)8-22-9-14(12)21)18(19(16)28-2)29-10-17(26)23-5-6-24/h3-4,8-9,24H,5-7,10H2,1-2H3,(H,23,26)
InChIKeyQLROCGFGPAAMFW-UHFFFAOYSA-N
MW443.28 g/mol
LogP2.32
Rot. Bonds10

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

2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-hydroxyethyl)acetamide (PubChem CID 66829650) has the molecular formula C19H20Cl2N2O6 and a molecular weight of 443.28 g/mol. Its IUPAC name is 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-hydroxyethyl)acetamide
PubChem CID66829650
Molecular FormulaC19H20Cl2N2O6
Molecular Weight443.28 g/mol
Exact Mass442.07
IUPAC Name2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-hydroxyethyl)acetamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)NCCO)c1OC
InChIInChI=1S/C19H20Cl2N2O6/c1-27-16-4-3-11(15(25)7-12-13(20)8-22-9-14(12)21)18(19(16)28-2)29-10-17(26)23-5-6-24/h3-4,8-9,24H,5-7,10H2,1-2H3,(H,23,26)
InChIKeyQLROCGFGPAAMFW-UHFFFAOYSA-N
XLogP2.32
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-hydroxyethyl)acetamide?
The IUPAC name of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-hydroxyethyl)acetamide (CID 66829650) is 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-hydroxyethyl)acetamide is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)NCCO)c1OC.
What is the InChIKey of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-hydroxyethyl)acetamide?
The InChIKey is QLROCGFGPAAMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O6/c1-27-16-4-3-11(15(25)7-12-13(20)8-22-9-14(12)21)18(19(16)28-2)29-10-17(26)23-5-6-24/h3-4,8-9,24H,5-7,10H2,1-2H3,(H,23,26).
What are the key properties of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-hydroxyethyl)acetamide?
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(2-hydroxyethyl)acetamide has a molecular weight of 443.28 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 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-hydroxyethyl)acetamide is sourced from PubChem (CID 66829650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).