N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide

C17H15NO4 — CID 723332

IUPACN-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C17H15NO4/c1-20-14-8-7-12(10-15(14)21-2)18-17(19)16-9-11-5-3-4-6-13(11)22-16/h3-10H,1-2H3,(H,18,19)
InChIKeyTWFIJOFWVNYTBL-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.70
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide

N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 723332) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID723332
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC NameN-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C17H15NO4/c1-20-14-8-7-12(10-15(14)21-2)18-17(19)16-9-11-5-3-4-6-13(11)22-16/h3-10H,1-2H3,(H,18,19)
InChIKeyTWFIJOFWVNYTBL-UHFFFAOYSA-N
XLogP3.70
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide (CID 723332) is N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2cc3ccccc3o2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is TWFIJOFWVNYTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-20-14-8-7-12(10-15(14)21-2)18-17(19)16-9-11-5-3-4-6-13(11)22-16/h3-10H,1-2H3,(H,18,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 723332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).