2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide

C12H9N3O6 — CID 707922

IUPAC2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(O)cc1O
InChIInChI=1S/C12H9N3O6/c16-7-1-3-9(10(17)5-7)12(18)14-13-6-8-2-4-11(21-8)15(19)20/h1-6,16-17H,(H,14,18)
InChIKeyZTQOQTRATCODQB-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.36
Rot. Bonds4

About 2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide

2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 707922) has the molecular formula C12H9N3O6 and a molecular weight of 291.22 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID707922
Molecular FormulaC12H9N3O6
Molecular Weight291.22 g/mol
Exact Mass291.05
IUPAC Name2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(O)cc1O
InChIInChI=1S/C12H9N3O6/c16-7-1-3-9(10(17)5-7)12(18)14-13-6-8-2-4-11(21-8)15(19)20/h1-6,16-17H,(H,14,18)
InChIKeyZTQOQTRATCODQB-UHFFFAOYSA-N
XLogP1.36
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Related Compounds

2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 126396561
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 825585
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4686004
2,4-dihydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332442
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 3612541
2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 3430896
1-[(2,4-dichlorobenzoyl)amino]-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 73053560
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide
CID 6444719
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 707922) is 2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide is O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is ZTQOQTRATCODQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O6/c16-7-1-3-9(10(17)5-7)12(18)14-13-6-8-2-4-11(21-8)15(19)20/h1-6,16-17H,(H,14,18).
What are the key properties of 2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide has a molecular weight of 291.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 707922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).