2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide

C13H10Cl2N2O2 — CID 75422770

IUPAC2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide
SMILESC1=CC(=CN=C1)NC(=O)COC2=CC(=CC(=C2)Cl)Cl
InChIInChI=1S/C13H10Cl2N2O2/c14-9-4-10(15)6-12(5-9)19-8-13(18)17-11-2-1-3-16-7-11/h1-7H,8H2,(H,17,18)
InChIKeyLAQYOFHVCDMBQQ-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.40
Rot. Bonds4

About 2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide

2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide (PubChem CID 75422770) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.13 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide
PubChem CID75422770
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.13 g/mol
Exact Mass296.01
IUPAC Name2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide
SMILESC1=CC(=CN=C1)NC(=O)COC2=CC(=CC(=C2)Cl)Cl
InChIInChI=1S/C13H10Cl2N2O2/c14-9-4-10(15)6-12(5-9)19-8-13(18)17-11-2-1-3-16-7-11/h1-7H,8H2,(H,17,18)
InChIKeyLAQYOFHVCDMBQQ-UHFFFAOYSA-N
XLogP3.40
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity294

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide (CID 75422770) is 2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide is C1=CC(=CN=C1)NC(=O)COC2=CC(=CC(=C2)Cl)Cl.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide?
The InChIKey is LAQYOFHVCDMBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-9-4-10(15)6-12(5-9)19-8-13(18)17-11-2-1-3-16-7-11/h1-7H,8H2,(H,17,18).
What are the key properties of 2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide?
2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide has a molecular weight of 297.13 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 75422770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).