2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide

C14H10N4O7 — CID 3358963

IUPAC2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H10N4O7/c19-12-3-1-9(17(22)23)5-8(12)7-15-16-14(21)11-6-10(18(24)25)2-4-13(11)20/h1-7,19-20H,(H,16,21)
InChIKeyMQUVCJMDRGNJEF-UHFFFAOYSA-N
MW346.26 g/mol
LogP1.68
Rot. Bonds5

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

2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide (PubChem CID 3358963) has the molecular formula C14H10N4O7 and a molecular weight of 346.26 g/mol. Its IUPAC name is 2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
PubChem CID3358963
Molecular FormulaC14H10N4O7
Molecular Weight346.26 g/mol
Exact Mass346.05
IUPAC Name2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H10N4O7/c19-12-3-1-9(17(22)23)5-8(12)7-15-16-14(21)11-6-10(18(24)25)2-4-13(11)20/h1-7,19-20H,(H,16,21)
InChIKeyMQUVCJMDRGNJEF-UHFFFAOYSA-N
XLogP1.68
TPSA168.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3101754
2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4686004
2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4111159
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 136664184
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
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135745467
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 137122746
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 137170315
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
2-hydroxy-5-nitro-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 126052078
4-acetamido-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 136662978

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide?
The IUPAC name of 2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide (CID 3358963) is 2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide.
What is the SMILES notation for 2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide?
The canonical SMILES for 2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide is O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide?
The InChIKey is MQUVCJMDRGNJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O7/c19-12-3-1-9(17(22)23)5-8(12)7-15-16-14(21)11-6-10(18(24)25)2-4-13(11)20/h1-7,19-20H,(H,16,21).
What are the key properties of 2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide?
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide has a molecular weight of 346.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide is sourced from PubChem (CID 3358963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).