N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide

C14H9Cl2N3O4 — CID 126092170

IUPACN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C14H9Cl2N3O4/c15-9-5-4-8(11(16)6-9)7-17-18-14(21)10-2-1-3-12(13(10)20)19(22)23/h1-7,20H,(H,18,21)/b17-7-
InChIKeyZQGQFGCLTMLSKJ-IDUWFGFVSA-N
MW354.15 g/mol
LogP3.37
Rot. Bonds4

About N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide (PubChem CID 126092170) has the molecular formula C14H9Cl2N3O4 and a molecular weight of 354.15 g/mol. Its IUPAC name is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide
PubChem CID126092170
Molecular FormulaC14H9Cl2N3O4
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C14H9Cl2N3O4/c15-9-5-4-8(11(16)6-9)7-17-18-14(21)10-2-1-3-12(13(10)20)19(22)23/h1-7,20H,(H,18,21)/b17-7-
InChIKeyZQGQFGCLTMLSKJ-IDUWFGFVSA-N
XLogP3.37
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-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

2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide
CID 774246
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
2-hydroxy-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 137026862
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide
CID 71557223
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
CID 3472596
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 6899811
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1381839
N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide
CID 126091189
N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide
CID 136670478
3,4,5-trihydroxy-N-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 4863381
3-chloro-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135784566

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide?
The IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide (CID 126092170) is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide is O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide?
The InChIKey is ZQGQFGCLTMLSKJ-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H9Cl2N3O4/c15-9-5-4-8(11(16)6-9)7-17-18-14(21)10-2-1-3-12(13(10)20)19(22)23/h1-7,20H,(H,18,21)/b17-7-.
What are the key properties of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide?
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide has a molecular weight of 354.15 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 126092170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).