2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide

C12H15NO2 — CID 4528993

IUPAC2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide
SMILESCc1ccc(C(N)=O)c2c1CC(C)(C)O2
InChIInChI=1S/C12H15NO2/c1-7-4-5-8(11(13)14)10-9(7)6-12(2,3)15-10/h4-5H,6H2,1-3H3,(H2,13,14)
InChIKeyHLDZVJSJKGVQAK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.81
Rot. Bonds1

About 2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide

2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide (PubChem CID 4528993) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide
PubChem CID4528993
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide
SMILESCc1ccc(C(N)=O)c2c1CC(C)(C)O2
InChIInChI=1S/C12H15NO2/c1-7-4-5-8(11(13)14)10-9(7)6-12(2,3)15-10/h4-5H,6H2,1-3H3,(H2,13,14)
InChIKeyHLDZVJSJKGVQAK-UHFFFAOYSA-N
XLogP1.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide?
The IUPAC name of 2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide (CID 4528993) is 2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide?
The canonical SMILES for 2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide is Cc1ccc(C(N)=O)c2c1CC(C)(C)O2.
What is the InChIKey of 2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide?
The InChIKey is HLDZVJSJKGVQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-4-5-8(11(13)14)10-9(7)6-12(2,3)15-10/h4-5H,6H2,1-3H3,(H2,13,14).
What are the key properties of 2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide?
2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide is sourced from PubChem (CID 4528993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).