2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide

C14H11N3O5 — CID 5331493

IUPAC2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1O
InChIInChI=1S/C14H11N3O5/c18-11-4-5-12(13(19)7-11)14(20)16-15-8-9-2-1-3-10(6-9)17(21)22/h1-8,18-19H,(H,16,20)/b15-8+
InChIKeyINFQMZKFLAPHEL-OVCLIPMQSA-N
MW301.26 g/mol
LogP1.77
Rot. Bonds4

About 2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide

2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide (PubChem CID 5331493) has the molecular formula C14H11N3O5 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
PubChem CID5331493
Molecular FormulaC14H11N3O5
Molecular Weight301.26 g/mol
Exact Mass301.07
IUPAC Name2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1O
InChIInChI=1S/C14H11N3O5/c18-11-4-5-12(13(19)7-11)14(20)16-15-8-9-2-1-3-10(6-9)17(21)22/h1-8,18-19H,(H,16,20)/b15-8+
InChIKeyINFQMZKFLAPHEL-OVCLIPMQSA-N
XLogP1.77
TPSA125.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide (CID 5331493) is 2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is INFQMZKFLAPHEL-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H11N3O5/c18-11-4-5-12(13(19)7-11)14(20)16-15-8-9-2-1-3-10(6-9)17(21)22/h1-8,18-19H,(H,16,20)/b15-8+.
What are the key properties of 2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 301.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5331493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).