2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide

C11H10Cl3NO2 — CID 102188919

IUPAC2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide
SMILESCC1(NC(=O)C(Cl)(Cl)Cl)Cc2ccccc2O1
InChIInChI=1S/C11H10Cl3NO2/c1-10(15-9(16)11(12,13)14)6-7-4-2-3-5-8(7)17-10/h2-5H,6H2,1H3,(H,15,16)
InChIKeyMRLYFVGCRUTGDV-UHFFFAOYSA-N
MW294.57 g/mol
LogP2.82
Rot. Bonds1

About 2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide

2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide (PubChem CID 102188919) has the molecular formula C11H10Cl3NO2 and a molecular weight of 294.57 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide
PubChem CID102188919
Molecular FormulaC11H10Cl3NO2
Molecular Weight294.57 g/mol
Exact Mass292.98
IUPAC Name2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide
SMILESCC1(NC(=O)C(Cl)(Cl)Cl)Cc2ccccc2O1
InChIInChI=1S/C11H10Cl3NO2/c1-10(15-9(16)11(12,13)14)6-7-4-2-3-5-8(7)17-10/h2-5H,6H2,1H3,(H,15,16)
InChIKeyMRLYFVGCRUTGDV-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.57
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide (CID 102188919) is 2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide is CC1(NC(=O)C(Cl)(Cl)Cl)Cc2ccccc2O1.
What is the InChIKey of 2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide?
The InChIKey is MRLYFVGCRUTGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO2/c1-10(15-9(16)11(12,13)14)6-7-4-2-3-5-8(7)17-10/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide?
2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide has a molecular weight of 294.57 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide is sourced from PubChem (CID 102188919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).