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

C23H20Cl2N2O5 — CID 66829675

IUPAC2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-phenylacetamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)Nc2ccccc2)c1OC
InChIInChI=1S/C23H20Cl2N2O5/c1-30-20-9-8-15(19(28)10-16-17(24)11-26-12-18(16)25)22(23(20)31-2)32-13-21(29)27-14-6-4-3-5-7-14/h3-9,11-12H,10,13H2,1-2H3,(H,27,29)
InChIKeyHOMXWYBOLCQCME-UHFFFAOYSA-N
MW475.33 g/mol
LogP4.85
Rot. Bonds9

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

2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-phenylacetamide (PubChem CID 66829675) has the molecular formula C23H20Cl2N2O5 and a molecular weight of 475.33 g/mol. Its IUPAC name is 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-phenylacetamide
PubChem CID66829675
Molecular FormulaC23H20Cl2N2O5
Molecular Weight475.33 g/mol
Exact Mass474.07
IUPAC Name2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-phenylacetamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)Nc2ccccc2)c1OC
InChIInChI=1S/C23H20Cl2N2O5/c1-30-20-9-8-15(19(28)10-16-17(24)11-26-12-18(16)25)22(23(20)31-2)32-13-21(29)27-14-6-4-3-5-7-14/h3-9,11-12H,10,13H2,1-2H3,(H,27,29)
InChIKeyHOMXWYBOLCQCME-UHFFFAOYSA-N
XLogP4.85
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.33
LogP ≤ 54.85
H-Bond Donors ≤ 51
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-phenylacetamide?
The IUPAC name of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-phenylacetamide (CID 66829675) is 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-phenylacetamide is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)Nc2ccccc2)c1OC.
What is the InChIKey of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-phenylacetamide?
The InChIKey is HOMXWYBOLCQCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O5/c1-30-20-9-8-15(19(28)10-16-17(24)11-26-12-18(16)25)22(23(20)31-2)32-13-21(29)27-14-6-4-3-5-7-14/h3-9,11-12H,10,13H2,1-2H3,(H,27,29).
What are the key properties of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-phenylacetamide?
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-phenylacetamide has a molecular weight of 475.33 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 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-phenylacetamide is sourced from PubChem (CID 66829675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).