2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide

C14H11N3O5 — CID 6897388

IUPAC2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1O
InChIInChI=1S/C14H11N3O5/c18-12-6-2-1-5-11(12)14(19)16-15-9-3-4-10-7-8-13(22-10)17(20)21/h1-9,18H,(H,16,19)/b4-3+,15-9+
InChIKeyGDJKBXUMODJKPF-BJIYECEJSA-N
MW301.26 g/mol
LogP2.32
Rot. Bonds5

About 2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide

2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide (PubChem CID 6897388) has the molecular formula C14H11N3O5 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide
PubChem CID6897388
Molecular FormulaC14H11N3O5
Molecular Weight301.26 g/mol
Exact Mass301.07
IUPAC Name2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1O
InChIInChI=1S/C14H11N3O5/c18-12-6-2-1-5-11(12)14(19)16-15-9-3-4-10-7-8-13(22-10)17(20)21/h1-9,18H,(H,16,19)/b4-3+,15-9+
InChIKeyGDJKBXUMODJKPF-BJIYECEJSA-N
XLogP2.32
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide (CID 6897388) is 2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide is O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide?
The InChIKey is GDJKBXUMODJKPF-BJIYECEJSA-N. The full InChI is InChI=1S/C14H11N3O5/c18-12-6-2-1-5-11(12)14(19)16-15-9-3-4-10-7-8-13(22-10)17(20)21/h1-9,18H,(H,16,19)/b4-3+,15-9+.
What are the key properties of 2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide?
2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide has a molecular weight of 301.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide is sourced from PubChem (CID 6897388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).