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

C18H13N3O5 — CID 118733695

IUPACN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxybenzamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H13N3O5/c22-18(20-19-12-14-10-11-17(26-14)21(23)24)15-8-4-5-9-16(15)25-13-6-2-1-3-7-13/h1-12H,(H,20,22)/b19-12+
InChIKeyIQCPNXMXSYXVQJ-XDHOZWIPSA-N
MW351.32 g/mol
LogP3.74
Rot. Bonds6

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

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxybenzamide (PubChem CID 118733695) has the molecular formula C18H13N3O5 and a molecular weight of 351.32 g/mol. Its IUPAC name is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxybenzamide
PubChem CID118733695
Molecular FormulaC18H13N3O5
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxybenzamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H13N3O5/c22-18(20-19-12-14-10-11-17(26-14)21(23)24)15-8-4-5-9-16(15)25-13-6-2-1-3-7-13/h1-12H,(H,20,22)/b19-12+
InChIKeyIQCPNXMXSYXVQJ-XDHOZWIPSA-N
XLogP3.74
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.74
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

Nifuroxazide
CID 5337997
Benzoic acid, 4-hydroxy-, [(5-nitro-2-furanyl)methylene]hydrazide
CID 13764
2-hydroxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6868808
2,5-dimethyl-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide
CID 2094278
2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide
CID 5334509
2,5-dimethyl-N-[(5-nitro-2-furyl)methyleneamino]-3-furamide
CID 6901909
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
Benzoic acid, 2-phenoxy-, 2-[(5-methyl-2-furanyl)methylene]hydrazide
CID 9836739
2,5-dimethyl-N-[(E)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide
CID 6879306

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxybenzamide?
The IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxybenzamide (CID 118733695) is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxybenzamide.
What is the SMILES notation for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxybenzamide?
The canonical SMILES for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxybenzamide is O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxybenzamide?
The InChIKey is IQCPNXMXSYXVQJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H13N3O5/c22-18(20-19-12-14-10-11-17(26-14)21(23)24)15-8-4-5-9-16(15)25-13-6-2-1-3-7-13/h1-12H,(H,20,22)/b19-12+.
What are the key properties of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxybenzamide?
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxybenzamide has a molecular weight of 351.32 g/mol, XLogP of 3.74, 6 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]-2-phenoxybenzamide is sourced from PubChem (CID 118733695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).