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

C12H10N4O5 — CID 14387191

IUPAC3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESNc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)ccc1O
InChIInChI=1S/C12H10N4O5/c13-9-5-7(1-3-10(9)17)12(18)15-14-6-8-2-4-11(21-8)16(19)20/h1-6,17H,13H2,(H,15,18)/b14-6+
InChIKeyBDFZANSFOMIITG-MKMNVTDBSA-N
MW290.24 g/mol
LogP1.24
Rot. Bonds4

About 3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide

3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 14387191) has the molecular formula C12H10N4O5 and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID14387191
Molecular FormulaC12H10N4O5
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESNc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)ccc1O
InChIInChI=1S/C12H10N4O5/c13-9-5-7(1-3-10(9)17)12(18)15-14-6-8-2-4-11(21-8)16(19)20/h1-6,17H,13H2,(H,15,18)/b14-6+
InChIKeyBDFZANSFOMIITG-MKMNVTDBSA-N
XLogP1.24
TPSA143.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 14387191) is 3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide is Nc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)ccc1O.
What is the InChIKey of 3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is BDFZANSFOMIITG-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H10N4O5/c13-9-5-7(1-3-10(9)17)12(18)15-14-6-8-2-4-11(21-8)16(19)20/h1-6,17H,13H2,(H,15,18)/b14-6+.
What are the key properties of 3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide has a molecular weight of 290.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 14387191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).