2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide

C14H11N3O6 — CID 4686004

IUPAC2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccc(O)cc1O
InChIInChI=1S/C14H11N3O6/c18-10-2-3-11(13(20)6-10)14(21)16-15-7-8-5-9(17(22)23)1-4-12(8)19/h1-7,18-20H,(H,16,21)
InChIKeyOXONIXZPWKJHMW-UHFFFAOYSA-N
MW317.26 g/mol
LogP1.48
Rot. Bonds4

About 2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide

2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide (PubChem CID 4686004) has the molecular formula C14H11N3O6 and a molecular weight of 317.26 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
PubChem CID4686004
Molecular FormulaC14H11N3O6
Molecular Weight317.26 g/mol
Exact Mass317.06
IUPAC Name2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccc(O)cc1O
InChIInChI=1S/C14H11N3O6/c18-10-2-3-11(13(20)6-10)14(21)16-15-7-8-5-9(17(22)23)1-4-12(8)19/h1-7,18-20H,(H,16,21)
InChIKeyOXONIXZPWKJHMW-UHFFFAOYSA-N
XLogP1.48
TPSA145.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3101754
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135745467
2,4-dihydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332442
2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4111159
2-hydroxy-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 137026862
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 135830603
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide;N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide;N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide;3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 172917708
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 5008121
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135472388
4-acetamido-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 136662978

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide (CID 4686004) is 2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide is O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The InChIKey is OXONIXZPWKJHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O6/c18-10-2-3-11(13(20)6-10)14(21)16-15-7-8-5-9(17(22)23)1-4-12(8)19/h1-7,18-20H,(H,16,21).
What are the key properties of 2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide has a molecular weight of 317.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 4686004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).