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

C21H18N2O3 — CID 135509615

IUPAC2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1ccccc1O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c24-19-14-8-7-9-16(19)15-22-23-20(25)21(26,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15,24,26H,(H,23,25)/b22-15+
InChIKeyGOCSMIDSQQKMKO-PXLXIMEGSA-N
MW346.39 g/mol
LogP2.78
Rot. Bonds5

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

2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide (PubChem CID 135509615) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide
PubChem CID135509615
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1ccccc1O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c24-19-14-8-7-9-16(19)15-22-23-20(25)21(26,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15,24,26H,(H,23,25)/b22-15+
InChIKeyGOCSMIDSQQKMKO-PXLXIMEGSA-N
XLogP2.78
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 5337816
Mls002667267
CID 241689
2-hydroxy-N-[(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 267472
Naphthalene-1-carboxylic acid (2-hydroxy-benzylidene)-hydrazide
CID 135400487
N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]-2,2-diphenylacetohydrazide
CID 135603353
N-[bis(2-hydroxyphenyl)methylideneamino]benzamide
CID 136035723
Salicylaldehyde Benzoyl Hydrazone
CID 135400584
Adipic bis(2-hydroxybenzylidenehydrazide)
CID 135420165
Hydroxy-N-[(2-hydroxyphenyl)methylidene](phenyl)ethanehydrazonic acid
CID 258649
N'-(2-hydroxy-4-methylbenzylidene)-5,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carbohydrazide
CID 135473431
(E)-9-hydroxy-N'-(2-hydroxybenzylidene)-9H-fluorene-9-carbohydrazide
CID 135498041
N'-[(E)-(2-hydroxyphenyl)methylidene]-3-phenylpropanehydrazide
CID 135419539

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide (CID 135509615) is 2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide is O=C(N/N=C/c1ccccc1O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide?
The InChIKey is GOCSMIDSQQKMKO-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-19-14-8-7-9-16(19)15-22-23-20(25)21(26,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15,24,26H,(H,23,25)/b22-15+.
What are the key properties of 2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide?
2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide has a molecular weight of 346.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 135509615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).