2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide

C16H13Cl2FN2O2 — CID 71239599

IUPAC2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
SMILESO=C(Cc1c(F)cc(Cl)cc1Cl)NC1CCOc2ncccc21
InChIInChI=1S/C16H13Cl2FN2O2/c17-9-6-12(18)11(13(19)7-9)8-15(22)21-14-3-5-23-16-10(14)2-1-4-20-16/h1-2,4,6-7,14H,3,5,8H2,(H,21,22)
InChIKeyZCLQNJQWAJQDEV-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.71
Rot. Bonds3

About 2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide

2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide (PubChem CID 71239599) has the molecular formula C16H13Cl2FN2O2 and a molecular weight of 355.20 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
PubChem CID71239599
Molecular FormulaC16H13Cl2FN2O2
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
SMILESO=C(Cc1c(F)cc(Cl)cc1Cl)NC1CCOc2ncccc21
InChIInChI=1S/C16H13Cl2FN2O2/c17-9-6-12(18)11(13(19)7-9)8-15(22)21-14-3-5-23-16-10(14)2-1-4-20-16/h1-2,4,6-7,14H,3,5,8H2,(H,21,22)
InChIKeyZCLQNJQWAJQDEV-UHFFFAOYSA-N
XLogP3.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
The IUPAC name of 2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide (CID 71239599) is 2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
The canonical SMILES for 2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide is O=C(Cc1c(F)cc(Cl)cc1Cl)NC1CCOc2ncccc21.
What is the InChIKey of 2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
The InChIKey is ZCLQNJQWAJQDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O2/c17-9-6-12(18)11(13(19)7-9)8-15(22)21-14-3-5-23-16-10(14)2-1-4-20-16/h1-2,4,6-7,14H,3,5,8H2,(H,21,22).
What are the key properties of 2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide has a molecular weight of 355.20 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide is sourced from PubChem (CID 71239599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).