2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide

C19H13NO5 — CID 7295578

IUPAC2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide
SMILESNC(=O)COc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C19H13NO5/c20-18(21)10-23-12-5-6-16-13(8-12)14(9-19(22)25-16)17-7-11-3-1-2-4-15(11)24-17/h1-9H,10H2,(H2,20,21)
InChIKeyCSJUDTICUMFRFG-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.07
Rot. Bonds4

About 2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide

2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide (PubChem CID 7295578) has the molecular formula C19H13NO5 and a molecular weight of 335.32 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide
PubChem CID7295578
Molecular FormulaC19H13NO5
Molecular Weight335.32 g/mol
Exact Mass335.08
IUPAC Name2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide
SMILESNC(=O)COc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C19H13NO5/c20-18(21)10-23-12-5-6-16-13(8-12)14(9-19(22)25-16)17-7-11-3-1-2-4-15(11)24-17/h1-9H,10H2,(H2,20,21)
InChIKeyCSJUDTICUMFRFG-UHFFFAOYSA-N
XLogP3.07
TPSA95.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide (CID 7295578) is 2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide is NC(=O)COc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide?
The InChIKey is CSJUDTICUMFRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO5/c20-18(21)10-23-12-5-6-16-13(8-12)14(9-19(22)25-16)17-7-11-3-1-2-4-15(11)24-17/h1-9H,10H2,(H2,20,21).
What are the key properties of 2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide?
2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide has a molecular weight of 335.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxyacetamide is sourced from PubChem (CID 7295578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).