2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide

C16H14Cl2N2O2 — CID 71239569

IUPAC2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NC1CCOc2ncccc21
InChIInChI=1S/C16H14Cl2N2O2/c17-11-4-3-10(13(18)9-11)8-15(21)20-14-5-7-22-16-12(14)2-1-6-19-16/h1-4,6,9,14H,5,7-8H2,(H,20,21)
InChIKeyBMKDSFJBRRVNJK-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.57
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide

2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide (PubChem CID 71239569) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
PubChem CID71239569
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NC1CCOc2ncccc21
InChIInChI=1S/C16H14Cl2N2O2/c17-11-4-3-10(13(18)9-11)8-15(21)20-14-5-7-22-16-12(14)2-1-6-19-16/h1-4,6,9,14H,5,7-8H2,(H,20,21)
InChIKeyBMKDSFJBRRVNJK-UHFFFAOYSA-N
XLogP3.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide (CID 71239569) is 2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide is O=C(Cc1ccc(Cl)cc1Cl)NC1CCOc2ncccc21.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
The InChIKey is BMKDSFJBRRVNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c17-11-4-3-10(13(18)9-11)8-15(21)20-14-5-7-22-16-12(14)2-1-6-19-16/h1-4,6,9,14H,5,7-8H2,(H,20,21).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide has a molecular weight of 337.21 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide is sourced from PubChem (CID 71239569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).