N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide

C14H11N3O4 — CID 135400288

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N3O4/c18-13-4-2-1-3-11(13)9-15-16-14(19)10-5-7-12(8-6-10)17(20)21/h1-9,18H,(H,16,19)/b15-9+
InChIKeyZYMJTOGKZUPMEZ-OQLLNIDSSA-N
MW285.26 g/mol
LogP2.06
Rot. Bonds4

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 135400288) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
PubChem CID135400288
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N3O4/c18-13-4-2-1-3-11(13)9-15-16-14(19)10-5-7-12(8-6-10)17(20)21/h1-9,18H,(H,16,19)/b15-9+
InChIKeyZYMJTOGKZUPMEZ-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_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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide (CID 135400288) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide is O=C(N/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is ZYMJTOGKZUPMEZ-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-13-4-2-1-3-11(13)9-15-16-14(19)10-5-7-12(8-6-10)17(20)21/h1-9,18H,(H,16,19)/b15-9+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-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)-(2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 135400288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).