2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide

C19H16Cl2N2O3 — CID 2997578

IUPAC2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide
SMILESCC(c1ccco1)N(C(=O)COc1ccc(Cl)cc1Cl)c1ccccn1
InChIInChI=1S/C19H16Cl2N2O3/c1-13(16-5-4-10-25-16)23(18-6-2-3-9-22-18)19(24)12-26-17-8-7-14(20)11-15(17)21/h2-11,13H,12H2,1H3
InChIKeyJIWVIXUABSSILF-UHFFFAOYSA-N
MW391.25 g/mol
LogP5.15
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide

2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide (PubChem CID 2997578) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide
PubChem CID2997578
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide
SMILESCC(c1ccco1)N(C(=O)COc1ccc(Cl)cc1Cl)c1ccccn1
InChIInChI=1S/C19H16Cl2N2O3/c1-13(16-5-4-10-25-16)23(18-6-2-3-9-22-18)19(24)12-26-17-8-7-14(20)11-15(17)21/h2-11,13H,12H2,1H3
InChIKeyJIWVIXUABSSILF-UHFFFAOYSA-N
XLogP5.15
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.25
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide (CID 2997578) is 2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide is CC(c1ccco1)N(C(=O)COc1ccc(Cl)cc1Cl)c1ccccn1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide?
The InChIKey is JIWVIXUABSSILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-13(16-5-4-10-25-16)23(18-6-2-3-9-22-18)19(24)12-26-17-8-7-14(20)11-15(17)21/h2-11,13H,12H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide?
2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide has a molecular weight of 391.25 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 2997578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).