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

C24H22Cl2N2O5 — CID 67030924

IUPAC2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)N(C)c2ccccc2)c1OC
InChIInChI=1S/C24H22Cl2N2O5/c1-28(15-7-5-4-6-8-15)22(30)14-33-23-16(9-10-21(31-2)24(23)32-3)20(29)11-17-18(25)12-27-13-19(17)26/h4-10,12-13H,11,14H2,1-3H3
InChIKeyIZQZNPWAJBJLCY-UHFFFAOYSA-N
MW489.36 g/mol
LogP4.87
Rot. Bonds9

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

2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-methyl-N-phenylacetamide (PubChem CID 67030924) has the molecular formula C24H22Cl2N2O5 and a molecular weight of 489.36 g/mol. Its IUPAC name is 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-methyl-N-phenylacetamide
PubChem CID67030924
Molecular FormulaC24H22Cl2N2O5
Molecular Weight489.36 g/mol
Exact Mass488.09
IUPAC Name2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)N(C)c2ccccc2)c1OC
InChIInChI=1S/C24H22Cl2N2O5/c1-28(15-7-5-4-6-8-15)22(30)14-33-23-16(9-10-21(31-2)24(23)32-3)20(29)11-17-18(25)12-27-13-19(17)26/h4-10,12-13H,11,14H2,1-3H3
InChIKeyIZQZNPWAJBJLCY-UHFFFAOYSA-N
XLogP4.87
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-methyl-N-phenylacetamide?
The IUPAC name of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-methyl-N-phenylacetamide (CID 67030924) is 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-methyl-N-phenylacetamide is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)N(C)c2ccccc2)c1OC.
What is the InChIKey of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-methyl-N-phenylacetamide?
The InChIKey is IZQZNPWAJBJLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O5/c1-28(15-7-5-4-6-8-15)22(30)14-33-23-16(9-10-21(31-2)24(23)32-3)20(29)11-17-18(25)12-27-13-19(17)26/h4-10,12-13H,11,14H2,1-3H3.
What are the key properties of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-methyl-N-phenylacetamide?
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-methyl-N-phenylacetamide has a molecular weight of 489.36 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 6 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-methyl-N-phenylacetamide is sourced from PubChem (CID 67030924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).