N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide

C15H11ClN4O5 — CID 136863890

IUPACN-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccccc1O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClN4O5/c16-11-6-5-10(7-12(11)20(24)25)18-14(22)15(23)19-17-8-9-3-1-2-4-13(9)21/h1-8,21H,(H,18,22)(H,19,23)/b17-8-
InChIKeyBEUOUHHWTCTHOR-IUXPMGMMSA-N
MW362.73 g/mol
LogP2.04
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide

N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 136863890) has the molecular formula C15H11ClN4O5 and a molecular weight of 362.73 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
PubChem CID136863890
Molecular FormulaC15H11ClN4O5
Molecular Weight362.73 g/mol
Exact Mass362.04
IUPAC NameN-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccccc1O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClN4O5/c16-11-6-5-10(7-12(11)20(24)25)18-14(22)15(23)19-17-8-9-3-1-2-4-13(9)21/h1-8,21H,(H,18,22)(H,19,23)/b17-8-
InChIKeyBEUOUHHWTCTHOR-IUXPMGMMSA-N
XLogP2.04
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.73
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3405547
N-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
CID 6179708
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-nitrophenyl)methylideneamino]oxamide
CID 6249380
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136909047
N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833568
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
CID 3817140
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813949
N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 4147303
N'-(4-chloro-3-nitrophenyl)-N-(4-phenoxyphenyl)oxamide
CID 108511578
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 3470850
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide (CID 136863890) is N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide is O=C(N/N=C\c1ccccc1O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is BEUOUHHWTCTHOR-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H11ClN4O5/c16-11-6-5-10(7-12(11)20(24)25)18-14(22)15(23)19-17-8-9-3-1-2-4-13(9)21/h1-8,21H,(H,18,22)(H,19,23)/b17-8-.
What are the key properties of N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide?
N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 362.73 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 136863890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).