N-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

C17H17ClN2O3 — CID 2469835

IUPACN-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)Nc3cccnc3Cl)c2O1
InChIInChI=1S/C17H17ClN2O3/c1-17(2)9-11-5-3-7-13(15(11)23-17)22-10-14(21)20-12-6-4-8-19-16(12)18/h3-8H,9-10H2,1-2H3,(H,20,21)
InChIKeyZVIHKTWPYXELIR-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.47
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

N-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (PubChem CID 2469835) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
PubChem CID2469835
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)Nc3cccnc3Cl)c2O1
InChIInChI=1S/C17H17ClN2O3/c1-17(2)9-11-5-3-7-13(15(11)23-17)22-10-14(21)20-12-6-4-8-19-16(12)18/h3-8H,9-10H2,1-2H3,(H,20,21)
InChIKeyZVIHKTWPYXELIR-UHFFFAOYSA-N
XLogP3.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (CID 2469835) is N-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is CC1(C)Cc2cccc(OCC(=O)Nc3cccnc3Cl)c2O1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The InChIKey is ZVIHKTWPYXELIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-17(2)9-11-5-3-7-13(15(11)23-17)22-10-14(21)20-12-6-4-8-19-16(12)18/h3-8H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
N-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide has a molecular weight of 332.79 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is sourced from PubChem (CID 2469835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).