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

C21H17N3O4 — CID 137156037

IUPACN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O4/c25-19-12-11-15(13-18(19)24(27)28)14-22-23-21(26)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20,25H,(H,23,26)/b22-14+
InChIKeyVHBZOIQSXASAJT-HYARGMPZSA-N
MW375.38 g/mol
LogP3.58
Rot. Bonds6

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

N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide (PubChem CID 137156037) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
PubChem CID137156037
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O4/c25-19-12-11-15(13-18(19)24(27)28)14-22-23-21(26)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20,25H,(H,23,26)/b22-14+
InChIKeyVHBZOIQSXASAJT-HYARGMPZSA-N
XLogP3.58
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3-hydroxy-4-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 3446242
2-ethyl-N,N'-bis[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 136803489
N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide
CID 4567494
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135679569
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
methyl N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 135730415
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 136699135
N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide
CID 135607564
N-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide
CID 4675786
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813962
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813963
N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135684451

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide (CID 137156037) is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide is O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
The InChIKey is VHBZOIQSXASAJT-HYARGMPZSA-N. The full InChI is InChI=1S/C21H17N3O4/c25-19-12-11-15(13-18(19)24(27)28)14-22-23-21(26)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20,25H,(H,23,26)/b22-14+.
What are the key properties of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide has a molecular weight of 375.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 137156037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).