2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide

C14H11N3O5 — CID 7373636

IUPAC2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(O)ccc1[N+](=O)[O-])c1ccccc1O
InChIInChI=1S/C14H11N3O5/c18-10-5-6-12(17(21)22)9(7-10)8-15-16-14(20)11-3-1-2-4-13(11)19/h1-8,18-19H,(H,16,20)/b15-8-
InChIKeyICFIGMOXWCFOMA-NVNXTCNLSA-N
MW301.26 g/mol
LogP1.77
Rot. Bonds4

About 2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide

2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide (PubChem CID 7373636) has the molecular formula C14H11N3O5 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
PubChem CID7373636
Molecular FormulaC14H11N3O5
Molecular Weight301.26 g/mol
Exact Mass301.07
IUPAC Name2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(O)ccc1[N+](=O)[O-])c1ccccc1O
InChIInChI=1S/C14H11N3O5/c18-10-5-6-12(17(21)22)9(7-10)8-15-16-14(20)11-3-1-2-4-13(11)19/h1-8,18-19H,(H,16,20)/b15-8-
InChIKeyICFIGMOXWCFOMA-NVNXTCNLSA-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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Related Compounds

2,4-dihydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332442
2-hydroxy-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 5404661
3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
CID 71951588
3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6870532
N-[(E)-(2-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135883082
N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide
CID 44507727
N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334500
2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4686004
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
N-[(2,4-dihydroxyphenyl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 155679940
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 764254
2-bromo-N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579521

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide (CID 7373636) is 2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C\c1cc(O)ccc1[N+](=O)[O-])c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide?
The InChIKey is ICFIGMOXWCFOMA-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H11N3O5/c18-10-5-6-12(17(21)22)9(7-10)8-15-16-14(20)11-3-1-2-4-13(11)19/h1-8,18-19H,(H,16,20)/b15-8-.
What are the key properties of 2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide?
2-hydroxy-N-[(Z)-(5-hydroxy-2-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-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 7373636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).