N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide

C14H11N3O4 — CID 135533484

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H11N3O4/c18-13-6-4-10(5-7-13)9-15-16-14(19)11-2-1-3-12(8-11)17(20)21/h1-9,18H,(H,16,19)/b15-9+
InChIKeyUOPTUQNQIMJNGQ-OQLLNIDSSA-N
MW285.26 g/mol
LogP2.06
Rot. Bonds4

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

N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide (PubChem CID 135533484) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
PubChem CID135533484
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H11N3O4/c18-13-6-4-10(5-7-13)9-15-16-14(19)11-2-1-3-12(8-11)17(20)21/h1-9,18H,(H,16,19)/b15-9+
InChIKeyUOPTUQNQIMJNGQ-OQLLNIDSSA-N
XLogP2.06
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.06
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

N'-(4-Hydroxy-3-methoxybenzylidene)-3-nitrobenzohydrazide
CID 86261405
3-Nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide
CID 3094002
Pkumdl-WQ-2101
CID 135403154
4-Aminobenzoic (2-hydroxybenzylidene)hydrazide
CID 135408682
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360
2-hydroxy-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135624573
Neuraminidase-IN-1
CID 154585120
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]naphthalene-1-carbohydrazide
CID 135403159
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394
N'-(2,4-Dihydroxybenzylidene)-4-nitrobenzohydrazide
CID 135421778
2,4-Dihydroxy-N'-(2-nitrobenzylidene)benzohydrazide
CID 5332442
Benzoic acid, m-nitro-, salicylidenehydrazide
CID 135408681

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide (CID 135533484) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide is O=C(N/N=C/c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
The InChIKey is UOPTUQNQIMJNGQ-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-13-6-4-10(5-7-13)9-15-16-14(19)11-2-1-3-12(8-11)17(20)21/h1-9,18H,(H,16,19)/b15-9+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide has a molecular weight of 285.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 135533484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).