3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide

C17H15NO5 — CID 713160

IUPAC3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3c(c2)COC3=O)c1
InChIInChI=1S/C17H15NO5/c1-21-13-6-10(7-14(8-13)22-2)16(19)18-12-3-4-15-11(5-12)9-23-17(15)20/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeySXTYNPOTSCEKAU-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.63
Rot. Bonds4

About 3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide

3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide (PubChem CID 713160) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
PubChem CID713160
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3c(c2)COC3=O)c1
InChIInChI=1S/C17H15NO5/c1-21-13-6-10(7-14(8-13)22-2)16(19)18-12-3-4-15-11(5-12)9-23-17(15)20/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeySXTYNPOTSCEKAU-UHFFFAOYSA-N
XLogP2.63
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide (CID 713160) is 3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide is COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)COC3=O)c1.
What is the InChIKey of 3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
The InChIKey is SXTYNPOTSCEKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-21-13-6-10(7-14(8-13)22-2)16(19)18-12-3-4-15-11(5-12)9-23-17(15)20/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide has a molecular weight of 313.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide is sourced from PubChem (CID 713160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).