2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide

C25H19N3O6 — CID 137062754

IUPAC2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19N3O6/c29-22-13-11-19(28(32)33)15-21(22)23-14-12-20(34-23)16-26-27-24(30)25(31,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,29,31H,(H,27,30)/b26-16+
InChIKeyVUXYGIOVFPTVDF-WGOQTCKBSA-N
MW457.44 g/mol
LogP3.95
Rot. Bonds7

About 2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide

2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide (PubChem CID 137062754) has the molecular formula C25H19N3O6 and a molecular weight of 457.44 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide
PubChem CID137062754
Molecular FormulaC25H19N3O6
Molecular Weight457.44 g/mol
Exact Mass457.13
IUPAC Name2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19N3O6/c29-22-13-11-19(28(32)33)15-21(22)23-14-12-20(34-23)16-26-27-24(30)25(31,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,29,31H,(H,27,30)/b26-16+
InChIKeyVUXYGIOVFPTVDF-WGOQTCKBSA-N
XLogP3.95
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.44
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 3958569
2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 6881941
2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
CID 135890916
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 171138890
4-[5-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 1207687
N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 18530001
1-[(Z)-[5-(2-bromo-5-nitrophenyl)furan-2-yl]methylideneamino]-3-[(E)-[5-(2-bromo-5-nitrophenyl)furan-2-yl]methylideneamino]urea
CID 18529994
2-anilino-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 5443599
2-[5-[(Z)-(benzoylhydrazinylidene)methyl]furan-2-yl]-5-nitrobenzoic acid
CID 126145602
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852
2-hydroxy-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135479551
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 6882170

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide (CID 137062754) is 2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide is O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide?
The InChIKey is VUXYGIOVFPTVDF-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H19N3O6/c29-22-13-11-19(28(32)33)15-21(22)23-14-12-20(34-23)16-26-27-24(30)25(31,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,29,31H,(H,27,30)/b26-16+.
What are the key properties of 2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide?
2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide has a molecular weight of 457.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 137062754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).