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

C18H13N3O4 — CID 6870015

IUPACN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylbenzamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H13N3O4/c22-18(20-19-12-16-10-11-17(25-16)21(23)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,20,22)/b19-12+
InChIKeyBFJUUCOLKWTLJX-XDHOZWIPSA-N
MW335.32 g/mol
LogP3.62
Rot. Bonds5

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

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylbenzamide (PubChem CID 6870015) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylbenzamide
PubChem CID6870015
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylbenzamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H13N3O4/c22-18(20-19-12-16-10-11-17(25-16)21(23)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,20,22)/b19-12+
InChIKeyBFJUUCOLKWTLJX-XDHOZWIPSA-N
XLogP3.62
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Nifuroxazide
CID 5337997
Benzoic acid, 4-hydroxy-, [(5-nitro-2-furanyl)methylene]hydrazide
CID 13764
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide
CID 5332293
2-hydroxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6868808
2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide
CID 5334509
N'-[(E)-(5-nitrofuran-2-yl)methylidene]-3-(4-propoxyphenyl)propanehydrazide
CID 9663344
N'-[(E)-(5-nitrofuran-2-yl)methylidene]cyclopentanecarbohydrazide
CID 25237242
2-(1-adamantyl)-N'-({5-nitro-2-furyl}methylene)acetohydrazide
CID 5721289
N'-[(5-methyl-2-furyl)methylene]-3-nitrobenzohydrazide
CID 6871954
N-[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6893438
Nifuroxazide EP Impurity E
CID 5390108
N'-[(5-nitro-2-furyl)methylene]benzohydrazide
CID 5331853

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylbenzamide (CID 6870015) is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylbenzamide is O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylbenzamide?
The InChIKey is BFJUUCOLKWTLJX-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-18(20-19-12-16-10-11-17(25-16)21(23)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,20,22)/b19-12+.
What are the key properties of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylbenzamide?
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylbenzamide has a molecular weight of 335.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 6870015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).