N-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide

C17H10N2O5 — CID 2866412

IUPACN-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H10N2O5/c20-17(14-7-8-16(24-14)19(21)22)18-10-5-6-12-11-3-1-2-4-13(11)23-15(12)9-10/h1-9H,(H,18,20)
InChIKeyURUVDCCYSJEGQQ-UHFFFAOYSA-N
MW322.28 g/mol
LogP4.34
Rot. Bonds3

About N-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide

N-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide (PubChem CID 2866412) has the molecular formula C17H10N2O5 and a molecular weight of 322.28 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide
PubChem CID2866412
Molecular FormulaC17H10N2O5
Molecular Weight322.28 g/mol
Exact Mass322.06
IUPAC NameN-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H10N2O5/c20-17(14-7-8-16(24-14)19(21)22)18-10-5-6-12-11-3-1-2-4-13(11)23-15(12)9-10/h1-9H,(H,18,20)
InChIKeyURUVDCCYSJEGQQ-UHFFFAOYSA-N
XLogP4.34
TPSA98.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 N-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide?
The IUPAC name of N-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide (CID 2866412) is N-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide is O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide?
The InChIKey is URUVDCCYSJEGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O5/c20-17(14-7-8-16(24-14)19(21)22)18-10-5-6-12-11-3-1-2-4-13(11)23-15(12)9-10/h1-9H,(H,18,20).
What are the key properties of N-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide?
N-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide has a molecular weight of 322.28 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 2866412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).