2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide

C16H14Cl2N2O3 — CID 71239428

IUPAC2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c(Cl)cc(Cl)cc1CO)NC1COc2ncccc21
InChIInChI=1S/C16H14Cl2N2O3/c17-10-4-9(7-21)12(13(18)5-10)6-15(22)20-14-8-23-16-11(14)2-1-3-19-16/h1-5,14,21H,6-8H2,(H,20,22)
InChIKeyHROBJQIQLZWNAS-UHFFFAOYSA-N
MW353.21 g/mol
LogP2.67
Rot. Bonds4

About 2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide

2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide (PubChem CID 71239428) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
PubChem CID71239428
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c(Cl)cc(Cl)cc1CO)NC1COc2ncccc21
InChIInChI=1S/C16H14Cl2N2O3/c17-10-4-9(7-21)12(13(18)5-10)6-15(22)20-14-8-23-16-11(14)2-1-3-19-16/h1-5,14,21H,6-8H2,(H,20,22)
InChIKeyHROBJQIQLZWNAS-UHFFFAOYSA-N
XLogP2.67
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of 2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide (CID 71239428) is 2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for 2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide is O=C(Cc1c(Cl)cc(Cl)cc1CO)NC1COc2ncccc21.
What is the InChIKey of 2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is HROBJQIQLZWNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-10-4-9(7-21)12(13(18)5-10)6-15(22)20-14-8-23-16-11(14)2-1-3-19-16/h1-5,14,21H,6-8H2,(H,20,22).
What are the key properties of 2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 353.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-(hydroxymethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 71239428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).