N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide

C14H9N3O5 — CID 6867648

IUPACN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc2ccccc2o1
InChIInChI=1S/C14H9N3O5/c18-14(12-7-9-3-1-2-4-11(9)22-12)16-15-8-10-5-6-13(21-10)17(19)20/h1-8H,(H,16,18)/b15-8+
InChIKeyHUYNVPAPUBSRKR-OVCLIPMQSA-N
MW299.24 g/mol
LogP2.70
Rot. Bonds4

About N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 6867648) has the molecular formula C14H9N3O5 and a molecular weight of 299.24 g/mol. Its IUPAC name is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID6867648
Molecular FormulaC14H9N3O5
Molecular Weight299.24 g/mol
Exact Mass299.05
IUPAC NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc2ccccc2o1
InChIInChI=1S/C14H9N3O5/c18-14(12-7-9-3-1-2-4-11(9)22-12)16-15-8-10-5-6-13(21-10)17(19)20/h1-8H,(H,16,18)/b15-8+
InChIKeyHUYNVPAPUBSRKR-OVCLIPMQSA-N
XLogP2.70
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
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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Related Compounds

N'-[(5-{5-nitro-2-methylphenyl}-2-furyl)methylene]naphtho[2,1-b]furan-2-carbohydrazide
CID 6876252
N'-({5-nitro-2-furyl}methylene)naphtho[2,1-b]furan-2-carbohydrazide
CID 9558054
(E)-N'-(4-nitrobenzylidene)benzofuran-2-carbohydrazide
CID 6882577
N'-[(5-{3-nitro-4-methylphenyl}-2-furyl)methylene]naphtho[2,1-b]furan-2-carbohydrazide
CID 5455725
2-(2-methylphenoxy)-N'-[(E)-(5-nitrofuran-2-yl)methylidene]acetohydrazide
CID 6878016
N-[(E)-(3-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6888132
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-octoxybenzamide
CID 145959595
N-[(E)-furan-2-ylmethylideneamino]-1-benzofuran-2-carboxamide
CID 6888261
4-methoxy-N'-[(E)-(5-nitrofuran-2-yl)methylidene]benzohydrazide
CID 9649908
N'-[(E)-(5-nitrofuran-2-yl)methylidene]-4-propoxybenzohydrazide
CID 6866928
4-ethoxy-N'-({5-nitro-2-furyl}methylene)benzohydrazide
CID 6868357
5-Nitro-N'-{[2-(trifluoromethyl)phenyl]methylidene}furan-2-carbohydrazide
CID 49862658

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide (CID 6867648) is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide is O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc2ccccc2o1.
What is the InChIKey of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is HUYNVPAPUBSRKR-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H9N3O5/c18-14(12-7-9-3-1-2-4-11(9)22-12)16-15-8-10-5-6-13(21-10)17(19)20/h1-8H,(H,16,18)/b15-8+.
What are the key properties of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide?
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 299.24 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6867648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).