2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide

C21H17N3O5 — CID 135642279

IUPAC2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O5/c25-19-15(8-7-13-18(19)24(28)29)14-22-23-20(26)21(27,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,25,27H,(H,23,26)/b22-14+
InChIKeyIBPMEFGNWVTWGZ-HYARGMPZSA-N
MW391.38 g/mol
LogP2.69
Rot. Bonds6

About 2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide

2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide (PubChem CID 135642279) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
PubChem CID135642279
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O5/c25-19-15(8-7-13-18(19)24(28)29)14-22-23-20(26)21(27,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,25,27H,(H,23,26)/b22-14+
InChIKeyIBPMEFGNWVTWGZ-HYARGMPZSA-N
XLogP2.69
TPSA125.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-hydroxy-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135479551
2-hydroxy-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135533066
1-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-3-phenylurea
CID 137076602
4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate
CID 7032585
3,4,5-trihydroxy-N-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 4863381
2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 6881941
3,5-dibromo-4-hydroxy-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 137076595
3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135905938
3-fluoro-N-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 3759979
N-[3-[(2E)-2-[(2-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 135822304
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 135578890
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 137173396

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide (CID 135642279) is 2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide is O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
The InChIKey is IBPMEFGNWVTWGZ-HYARGMPZSA-N. The full InChI is InChI=1S/C21H17N3O5/c25-19-15(8-7-13-18(19)24(28)29)14-22-23-20(26)21(27,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,25,27H,(H,23,26)/b22-14+.
What are the key properties of 2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide has a molecular weight of 391.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 135642279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).