N-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide

C20H15FN4O5 — CID 6866730

IUPACN-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
SMILESCc1c(-c2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)o2)cccc1[N+](=O)[O-]
InChIInChI=1S/C20H15FN4O5/c1-12-14(5-4-8-17(12)25(28)29)18-10-9-13(30-18)11-22-24-20(27)19(26)23-16-7-3-2-6-15(16)21/h2-11H,1H3,(H,23,26)(H,24,27)/b22-11+
InChIKeyWCWFIORVHBZRAY-SSDVNMTOSA-N
MW410.36 g/mol
LogP3.39
Rot. Bonds5

About N-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide

N-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide (PubChem CID 6866730) has the molecular formula C20H15FN4O5 and a molecular weight of 410.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
PubChem CID6866730
Molecular FormulaC20H15FN4O5
Molecular Weight410.36 g/mol
Exact Mass410.10
IUPAC NameN-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
SMILESCc1c(-c2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)o2)cccc1[N+](=O)[O-]
InChIInChI=1S/C20H15FN4O5/c1-12-14(5-4-8-17(12)25(28)29)18-10-9-13(30-18)11-22-24-20(27)19(26)23-16-7-3-2-6-15(16)21/h2-11H,1H3,(H,23,26)(H,24,27)/b22-11+
InChIKeyWCWFIORVHBZRAY-SSDVNMTOSA-N
XLogP3.39
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide (CID 6866730) is N-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide is Cc1c(-c2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)o2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide?
The InChIKey is WCWFIORVHBZRAY-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H15FN4O5/c1-12-14(5-4-8-17(12)25(28)29)18-10-9-13(30-18)11-22-24-20(27)19(26)23-16-7-3-2-6-15(16)21/h2-11H,1H3,(H,23,26)(H,24,27)/b22-11+.
What are the key properties of N-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide?
N-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide has a molecular weight of 410.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide is sourced from PubChem (CID 6866730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).