2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide

C12H7N5O9 — CID 28140

IUPAC2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-5,18H,(H,14,19)
InChIKeyXXUXXCZCUGIGPP-UHFFFAOYSA-N
MW365.21 g/mol
LogP1.47
Rot. Bonds6

About 2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide

2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 28140) has the molecular formula C12H7N5O9 and a molecular weight of 365.21 g/mol. Its IUPAC name is 2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID28140
Molecular FormulaC12H7N5O9
Molecular Weight365.21 g/mol
Exact Mass365.02
IUPAC Name2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-5,18H,(H,14,19)
InChIKeyXXUXXCZCUGIGPP-UHFFFAOYSA-N
XLogP1.47
TPSA204.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Nifursol
CID 9570327
2-hydroxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6868808
Salfuride
CID 6184351
3-hydroxy-4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 44568393
3-amino-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 14387191
2-Hydroxybenzoic acid (3-(5-nitro-2-furanyl)-2-propenylidene)hydrazide
CID 6897388
2-hydroxy-N-[[5-(3-nitrophenyl)-2-furanyl]methylideneamino]benzamide
CID 1100459
2-hydroxy-N'-[(Z)-(3-methoxyphenyl)methylidene]-3,5-dinitrobenzohydrazide
CID 5943433
N-[(1E)-2-(5-nitro(2-furyl))-1-azavinyl](3,5-dinitrophenyl)carboxamide
CID 9659268
2-hydroxy-5-nitro-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 3384344
N-((1Z)-2-{5-[3-(trifluoromethyl)phenyl](2-furyl)}-1-azavinyl)(2-hydroxy-5-nit rophenyl)carboxamide
CID 5810481
2-hydroxy-5-nitro-N'-[(E)-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene]benzohydrazide
CID 9666812

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 28140) is 2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide is O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is XXUXXCZCUGIGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-5,18H,(H,14,19).
What are the key properties of 2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide has a molecular weight of 365.21 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5-dinitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 28140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).