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

C13H11N3O5 — CID 3612541

IUPAC2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESCOc1ccccc1C(=O)NN=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H11N3O5/c1-20-11-5-3-2-4-10(11)13(17)15-14-8-9-6-7-12(21-9)16(18)19/h2-8H,1H3,(H,15,17)
InChIKeyDRKPJOPBSFOING-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.96
Rot. Bonds5

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

2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 3612541) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID3612541
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC Name2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESCOc1ccccc1C(=O)NN=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H11N3O5/c1-20-11-5-3-2-4-10(11)13(17)15-14-8-9-6-7-12(21-9)16(18)19/h2-8H,1H3,(H,15,17)
InChIKeyDRKPJOPBSFOING-UHFFFAOYSA-N
XLogP1.96
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.96
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-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
2-methoxy-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6298177
2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 126396561
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 6077231
N-[(5-nitrofuran-2-yl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2357095
2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 3430896
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 3439847
3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 5404081
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6861689
2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 707922
N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135589445

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 3612541) is 2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide is COc1ccccc1C(=O)NN=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is DRKPJOPBSFOING-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c1-20-11-5-3-2-4-10(11)13(17)15-14-8-9-6-7-12(21-9)16(18)19/h2-8H,1H3,(H,15,17).
What are the key properties of 2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide has a molecular weight of 289.25 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 3612541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).