N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide

C14H9I2N3O4 — CID 136832455

IUPACN-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C\c1cc(I)c(O)c(I)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9I2N3O4/c15-11-5-8(6-12(16)13(11)20)7-17-18-14(21)9-1-3-10(4-2-9)19(22)23/h1-7,20H,(H,18,21)/b17-7-
InChIKeyLUMQHMKRKJSMCF-IDUWFGFVSA-N
MW537.05 g/mol
LogP3.27
Rot. Bonds4

About N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide

N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 136832455) has the molecular formula C14H9I2N3O4 and a molecular weight of 537.05 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
PubChem CID136832455
Molecular FormulaC14H9I2N3O4
Molecular Weight537.05 g/mol
Exact Mass536.87
IUPAC NameN-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C\c1cc(I)c(O)c(I)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9I2N3O4/c15-11-5-8(6-12(16)13(11)20)7-17-18-14(21)9-1-3-10(4-2-9)19(22)23/h1-7,20H,(H,18,21)/b17-7-
InChIKeyLUMQHMKRKJSMCF-IDUWFGFVSA-N
XLogP3.27
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.05
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide
CID 137064524
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-4-nitrobenzamide
CID 3252277
N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 137062726
N-[[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-nitrobenzamide
CID 3988801
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
CID 135420166
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 771719
3,5-ditert-butyl-4-hydroxy-N-[(4-nitrophenyl)methylideneamino]benzamide
CID 139795331
N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide
CID 3960646
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
4-ethoxy-N-[(Z)-[3-ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124537205
N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide
CID 5373177
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 136712197

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide (CID 136832455) is N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide is O=C(N/N=C\c1cc(I)c(O)c(I)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is LUMQHMKRKJSMCF-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H9I2N3O4/c15-11-5-8(6-12(16)13(11)20)7-17-18-14(21)9-1-3-10(4-2-9)19(22)23/h1-7,20H,(H,18,21)/b17-7-.
What are the key properties of N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide?
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide has a molecular weight of 537.05 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 136832455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).