4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide

C12H10N4O4 — CID 6909762

IUPAC4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C12H10N4O4/c13-9-3-1-8(2-4-9)12(17)15-14-7-10-5-6-11(20-10)16(18)19/h1-7H,13H2,(H,15,17)/b14-7+
InChIKeyOKFBAMVVJFGBDA-VGOFMYFVSA-N
MW274.24 g/mol
LogP1.53
Rot. Bonds4

About 4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide

4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 6909762) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID6909762
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC Name4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C12H10N4O4/c13-9-3-1-8(2-4-9)12(17)15-14-7-10-5-6-11(20-10)16(18)19/h1-7H,13H2,(H,15,17)/b14-7+
InChIKeyOKFBAMVVJFGBDA-VGOFMYFVSA-N
XLogP1.53
TPSA123.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 6909762) is 4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide is Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of 4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is OKFBAMVVJFGBDA-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H10N4O4/c13-9-3-1-8(2-4-9)12(17)15-14-7-10-5-6-11(20-10)16(18)19/h1-7H,13H2,(H,15,17)/b14-7+.
What are the key properties of 4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide has a molecular weight of 274.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 6909762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).