N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide

C16H15N3O6 — CID 126054390

IUPACN-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
SMILESCOc1cccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)c1OC
InChIInChI=1S/C16H15N3O6/c1-24-14-5-3-4-10(15(14)25-2)9-17-18-16(21)12-8-11(19(22)23)6-7-13(12)20/h3-9,20H,1-2H3,(H,18,21)/b17-9-
InChIKeyQFJKMGAXOXSVOL-MFOYZWKCSA-N
MW345.31 g/mol
LogP2.08
Rot. Bonds6

About N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide

N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide (PubChem CID 126054390) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
PubChem CID126054390
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC NameN-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
SMILESCOc1cccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)c1OC
InChIInChI=1S/C16H15N3O6/c1-24-14-5-3-4-10(15(14)25-2)9-17-18-16(21)12-8-11(19(22)23)6-7-13(12)20/h3-9,20H,1-2H3,(H,18,21)/b17-9-
InChIKeyQFJKMGAXOXSVOL-MFOYZWKCSA-N
XLogP2.08
TPSA123.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide
CID 94847959
2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide
CID 6265393
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395056
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3983517
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 110506784
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506616
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 136844887
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 135716312
5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 4134120
(2S)-2-[2-methoxy-6-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]propanoate
CID 7323578
N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090224

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide?
The IUPAC name of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide (CID 126054390) is N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide?
The canonical SMILES for N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide is COc1cccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)c1OC.
What is the InChIKey of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide?
The InChIKey is QFJKMGAXOXSVOL-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H15N3O6/c1-24-14-5-3-4-10(15(14)25-2)9-17-18-16(21)12-8-11(19(22)23)6-7-13(12)20/h3-9,20H,1-2H3,(H,18,21)/b17-9-.
What are the key properties of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide?
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide has a molecular weight of 345.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide is sourced from PubChem (CID 126054390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).