N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide

C15H10Cl2N4O5 — CID 135813992

IUPACN-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl2N4O5/c16-9-2-1-3-10(13(9)17)19-14(23)15(24)20-18-7-8-4-5-12(22)11(6-8)21(25)26/h1-7,22H,(H,19,23)(H,20,24)/b18-7-
InChIKeyOCHRVTQAPKQPCT-WSVATBPTSA-N
MW397.17 g/mol
LogP2.70
Rot. Bonds4

About N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide

N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide (PubChem CID 135813992) has the molecular formula C15H10Cl2N4O5 and a molecular weight of 397.17 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
PubChem CID135813992
Molecular FormulaC15H10Cl2N4O5
Molecular Weight397.17 g/mol
Exact Mass396.00
IUPAC NameN-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl2N4O5/c16-9-2-1-3-10(13(9)17)19-14(23)15(24)20-18-7-8-4-5-12(22)11(6-8)21(25)26/h1-7,22H,(H,19,23)(H,20,24)/b18-7-
InChIKeyOCHRVTQAPKQPCT-WSVATBPTSA-N
XLogP2.70
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.17
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

N-(2-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813990
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135813958
N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813949
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813962
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813963
(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enamide
CID 19574936
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135813981
N-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide
CID 3977265
N-(4-ethylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813977
N-(4-chloro-3-nitrophenyl)-N'-(2,3-dichlorophenyl)oxamide
CID 108500702
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 6117407

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide (CID 135813992) is N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide is O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide?
The InChIKey is OCHRVTQAPKQPCT-WSVATBPTSA-N. The full InChI is InChI=1S/C15H10Cl2N4O5/c16-9-2-1-3-10(13(9)17)19-14(23)15(24)20-18-7-8-4-5-12(22)11(6-8)21(25)26/h1-7,22H,(H,19,23)(H,20,24)/b18-7-.
What are the key properties of N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide?
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide has a molecular weight of 397.17 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 135813992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).