2-hydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide

C21H17N3O5 — CID 135624573

IUPAC2-hydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O5/c25-19-12-11-15(13-18(19)24(28)29)14-22-23-20(26)21(27,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,25,27H,(H,23,26)/b22-14+
InChIKeyFALGCSABVTVDDN-HYARGMPZSA-N
MW391.38 g/mol
LogP2.69
Rot. Bonds6

About 2-hydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide

2-hydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide (PubChem CID 135624573) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
PubChem CID135624573
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name2-hydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O5/c25-19-12-11-15(13-18(19)24(28)29)14-22-23-20(26)21(27,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,25,27H,(H,23,26)/b22-14+
InChIKeyFALGCSABVTVDDN-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_B(215)', '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-5-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135642278
2-hydroxy-N'-[(E)-(2-hydroxy-3-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135642279
N'-[(E)-(4-Hydroxy-3-nitrophenyl)methylidene]-2-(naphthalen-1-YL)acetohydrazide
CID 135455115
2-hydroxy-N'-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135479551
O-acyl oxime isatin derivative, 41
CID 135643321
N'-[(E)-(4-Hydroxy-3-nitrophenyl)methylidene]-2,2-diphenylcyclopropane-1-carbohydrazide
CID 135455062
N'-{3-bromo-4-hydroxy-5-nitrobenzylidene}-2-hydroxy-2,2-diphenylacetohydrazide
CID 135490346
N-({N'-[(E)-(4-Hydroxy-3-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-2,2-diphenylacetamide
CID 135517039
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-phenylacetohydrazide
CID 135643363
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 136810482
6-(4-Hydroxyphenyl)-4-(3-nitrophenyl)-2,3a,4,5-tetrahydroindazol-3-one
CID 137169174
N'-[(E)-(4-hydroxyphenyl)methylidene]-2-(4-nitrophenyl)acetohydrazide
CID 135541705

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide (CID 135624573) is 2-hydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide is O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
The InChIKey is FALGCSABVTVDDN-HYARGMPZSA-N. The full InChI is InChI=1S/C21H17N3O5/c25-19-12-11-15(13-18(19)24(28)29)14-22-23-20(26)21(27,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,25,27H,(H,23,26)/b22-14+.
What are the key properties of 2-hydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
2-hydroxy-N-[(E)-(4-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)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 135624573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).