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

C17H16Cl2N2O5 — CID 24957745

IUPAC2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(N)=O)c1OC
InChIInChI=1S/C17H16Cl2N2O5/c1-24-14-4-3-9(16(17(14)25-2)26-8-15(20)23)13(22)5-10-11(18)6-21-7-12(10)19/h3-4,6-7H,5,8H2,1-2H3,(H2,20,23)
InChIKeyHABXMRUXTIDQDY-UHFFFAOYSA-N
MW399.23 g/mol
LogP2.70
Rot. Bonds8

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

2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetamide (PubChem CID 24957745) has the molecular formula C17H16Cl2N2O5 and a molecular weight of 399.23 g/mol. Its IUPAC name is 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetamide
PubChem CID24957745
Molecular FormulaC17H16Cl2N2O5
Molecular Weight399.23 g/mol
Exact Mass398.04
IUPAC Name2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(N)=O)c1OC
InChIInChI=1S/C17H16Cl2N2O5/c1-24-14-4-3-9(16(17(14)25-2)26-8-15(20)23)13(22)5-10-11(18)6-21-7-12(10)19/h3-4,6-7H,5,8H2,1-2H3,(H2,20,23)
InChIKeyHABXMRUXTIDQDY-UHFFFAOYSA-N
XLogP2.70
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 52.70
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]acetamide?
The IUPAC name of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetamide (CID 24957745) is 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetamide.
What is the SMILES notation for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetamide?
The canonical SMILES for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetamide is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(N)=O)c1OC.
What is the InChIKey of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetamide?
The InChIKey is HABXMRUXTIDQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O5/c1-24-14-4-3-9(16(17(14)25-2)26-8-15(20)23)13(22)5-10-11(18)6-21-7-12(10)19/h3-4,6-7H,5,8H2,1-2H3,(H2,20,23).
What are the key properties of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetamide?
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetamide has a molecular weight of 399.23 g/mol, XLogP of 2.70, 8 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]acetamide is sourced from PubChem (CID 24957745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).