2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide

C20H14N6O9 — CID 4111159

IUPAC2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)o1
InChIInChI=1S/C20H14N6O9/c27-15-3-1-13(25(31)32)7-11(15)9-21-23-19(29)17-5-6-18(35-17)20(30)24-22-10-12-8-14(26(33)34)2-4-16(12)28/h1-10,27-28H,(H,23,29)(H,24,30)
InChIKeyCZFZASWCWRPJSD-UHFFFAOYSA-N
MW482.37 g/mol
LogP2.04
Rot. Bonds8

About 2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide

2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide (PubChem CID 4111159) has the molecular formula C20H14N6O9 and a molecular weight of 482.37 g/mol. Its IUPAC name is 2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide
PubChem CID4111159
Molecular FormulaC20H14N6O9
Molecular Weight482.37 g/mol
Exact Mass482.08
IUPAC Name2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)o1
InChIInChI=1S/C20H14N6O9/c27-15-3-1-13(25(31)32)7-11(15)9-21-23-19(29)17-5-6-18(35-17)20(30)24-22-10-12-8-14(26(33)34)2-4-16(12)28/h1-10,27-28H,(H,23,29)(H,24,30)
InChIKeyCZFZASWCWRPJSD-UHFFFAOYSA-N
XLogP2.04
TPSA222.80 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.37
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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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Related Compounds

N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 137122746
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 135533634
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135745467
2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4686004
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3101754
4-acetamido-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 136662978
2-(4-ethylphenyl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 137180707
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 135716312
2-hydroxy-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 137026862
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 135830603

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide (CID 4111159) is 2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide is O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)o1.
What is the InChIKey of 2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide?
The InChIKey is CZFZASWCWRPJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O9/c27-15-3-1-13(25(31)32)7-11(15)9-21-23-19(29)17-5-6-18(35-17)20(30)24-22-10-12-8-14(26(33)34)2-4-16(12)28/h1-10,27-28H,(H,23,29)(H,24,30).
What are the key properties of 2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide?
2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide has a molecular weight of 482.37 g/mol, XLogP of 2.04, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide is sourced from PubChem (CID 4111159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).