5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide

C20H12N2O6 — CID 1423646

IUPAC5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C20H12N2O6/c23-19-9-4-13-10-14(5-6-17(13)28-19)21-20(24)18-8-7-16(27-18)12-2-1-3-15(11-12)22(25)26/h1-11H,(H,21,24)
InChIKeyFLFWZMZCCJDKHW-UHFFFAOYSA-N
MW376.32 g/mol
LogP4.21
Rot. Bonds4

About 5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide

5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide (PubChem CID 1423646) has the molecular formula C20H12N2O6 and a molecular weight of 376.32 g/mol. Its IUPAC name is 5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide
PubChem CID1423646
Molecular FormulaC20H12N2O6
Molecular Weight376.32 g/mol
Exact Mass376.07
IUPAC Name5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C20H12N2O6/c23-19-9-4-13-10-14(5-6-17(13)28-19)21-20(24)18-8-7-16(27-18)12-2-1-3-15(11-12)22(25)26/h1-11H,(H,21,24)
InChIKeyFLFWZMZCCJDKHW-UHFFFAOYSA-N
XLogP4.21
TPSA115.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide?
The IUPAC name of 5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide (CID 1423646) is 5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide?
The canonical SMILES for 5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide is O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of 5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide?
The InChIKey is FLFWZMZCCJDKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O6/c23-19-9-4-13-10-14(5-6-17(13)28-19)21-20(24)18-8-7-16(27-18)12-2-1-3-15(11-12)22(25)26/h1-11H,(H,21,24).
What are the key properties of 5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide?
5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide has a molecular weight of 376.32 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide is sourced from PubChem (CID 1423646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).