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

C14H13N3O5 — CID 769775

IUPAC4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)NN=Cc2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C14H13N3O5/c1-2-21-11-5-3-10(4-6-11)14(18)16-15-9-12-7-8-13(22-12)17(19)20/h3-9H,2H2,1H3,(H,16,18)
InChIKeyMYLGMEPQXTZARC-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.35
Rot. Bonds6

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

4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 769775) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID769775
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)NN=Cc2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C14H13N3O5/c1-2-21-11-5-3-10(4-6-11)14(18)16-15-9-12-7-8-13(22-12)17(19)20/h3-9H,2H2,1H3,(H,16,18)
InChIKeyMYLGMEPQXTZARC-UHFFFAOYSA-N
XLogP2.35
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.35
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

4-butoxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 90675804
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 6901877
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
2-(4-tert-butylphenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 833741
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-4-ethoxybenzamide
CID 9215198
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5403359
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 6322955
2-[4-[(2S)-butan-2-yl]phenoxy]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 7355336

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 769775) is 4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide is CCOc1ccc(C(=O)NN=Cc2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of 4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is MYLGMEPQXTZARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-2-21-11-5-3-10(4-6-11)14(18)16-15-9-12-7-8-13(22-12)17(19)20/h3-9H,2H2,1H3,(H,16,18).
What are the key properties of 4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide has a molecular weight of 303.27 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 769775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).