4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide

C21H18N4O4 — CID 135489027

IUPAC4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide
SMILESCc1ccccc1NC(=O)c1ccc(N/N=C/c2ccccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C21H18N4O4/c1-14-6-2-4-8-17(14)23-21(27)15-10-11-18(19(12-15)25(28)29)24-22-13-16-7-3-5-9-20(16)26/h2-13,24,26H,1H3,(H,23,27)/b22-13+
InChIKeyCUGCGTYXPCRTLR-LPYMAVHISA-N
MW390.40 g/mol
LogP4.31
Rot. Bonds6

About 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide

4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide (PubChem CID 135489027) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide
PubChem CID135489027
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide
SMILESCc1ccccc1NC(=O)c1ccc(N/N=C/c2ccccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C21H18N4O4/c1-14-6-2-4-8-17(14)23-21(27)15-10-11-18(19(12-15)25(28)29)24-22-13-16-7-3-5-9-20(16)26/h2-13,24,26H,1H3,(H,23,27)/b22-13+
InChIKeyCUGCGTYXPCRTLR-LPYMAVHISA-N
XLogP4.31
TPSA116.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.31
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

4-[2-(3-hydroxybenzylidene)hydrazino]-3-nitro-N-(4-methylphenyl)benzamide
CID 9648076
N-(4-{N'-[(E)-(3-Hydroxyphenyl)methylidene]hydrazinecarbonyl}phenyl)-3-nitrobenzamide
CID 46496335
N'-[4-(diethylamino)-2-hydroxybenzylidene]-4-nitrobenzohydrazide
CID 135400305
N'-(2-hydroxy-5-nitrobenzylidene)-3-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 135421588
4-[2-(2-hydroxy-5-nitrobenzylidene)hydrazino]-N-(2-methylphenyl)-4-oxobutanamide
CID 135425066
3-{N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-(4-methylphenyl)propanamide
CID 135497967
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4509211
N-[1-{[2-(4-hydroxybenzylidene)hydrazino]carbonyl}-2-(4-nitrophenyl)vinyl]benzamide
CID 135446673
N-(4-{N'-[(E)-(2-Methoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)-3-nitrobenzamide
CID 46496256
Benzoic acid, 4-((4-nitrobenzoyl)amino)-, ((2-hydroxyphenyl)methylene)hydrazide
CID 135568456
3-(benzylamino)-4-(cyclohexylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 172439195
4-Fluoro-N-(3-{N'-[(E)-(2-hydroxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 135957362

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide?
The IUPAC name of 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide (CID 135489027) is 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide is Cc1ccccc1NC(=O)c1ccc(N/N=C/c2ccccc2O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide?
The InChIKey is CUGCGTYXPCRTLR-LPYMAVHISA-N. The full InChI is InChI=1S/C21H18N4O4/c1-14-6-2-4-8-17(14)23-21(27)15-10-11-18(19(12-15)25(28)29)24-22-13-16-7-3-5-9-20(16)26/h2-13,24,26H,1H3,(H,23,27)/b22-13+.
What are the key properties of 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide?
4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide has a molecular weight of 390.40 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 135489027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).