N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide

C14H10N4O6 — CID 136712209

IUPACN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10N4O6/c19-13-5-4-9(6-12(13)18(23)24)8-15-16-14(20)10-2-1-3-11(7-10)17(21)22/h1-8,19H,(H,16,20)/b15-8+
InChIKeyATMLLYKKANTMOG-OVCLIPMQSA-N
MW330.26 g/mol
LogP1.97
Rot. Bonds5

About N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide

N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide (PubChem CID 136712209) has the molecular formula C14H10N4O6 and a molecular weight of 330.26 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
PubChem CID136712209
Molecular FormulaC14H10N4O6
Molecular Weight330.26 g/mol
Exact Mass330.06
IUPAC NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10N4O6/c19-13-5-4-9(6-12(13)18(23)24)8-15-16-14(20)10-2-1-3-11(7-10)17(21)22/h1-8,19H,(H,16,20)/b15-8+
InChIKeyATMLLYKKANTMOG-OVCLIPMQSA-N
XLogP1.97
TPSA147.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135504453
3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579599
N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-3-nitrobenzamide
CID 7635577
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 136712161
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136912782
4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136789360
N-[(E)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136712211
N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide
CID 4033932
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-nitrobenzamide
CID 6865590
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135771114
3-nitro-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 5406628
N-(1,3-benzodioxol-5-ylmethylideneamino)-3-nitrobenzamide
CID 590072

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide (CID 136712209) is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide is O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide?
The InChIKey is ATMLLYKKANTMOG-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H10N4O6/c19-13-5-4-9(6-12(13)18(23)24)8-15-16-14(20)10-2-1-3-11(7-10)17(21)22/h1-8,19H,(H,16,20)/b15-8+.
What are the key properties of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide?
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide has a molecular weight of 330.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 136712209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).