N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide

C16H13ClN4O5 — CID 135813949

IUPACN-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C16H13ClN4O5/c1-9-2-4-11(7-12(9)17)19-15(23)16(24)20-18-8-10-3-5-14(22)13(6-10)21(25)26/h2-8,22H,1H3,(H,19,23)(H,20,24)/b18-8+
InChIKeyVFTWJOUDUXSOFB-QGMBQPNBSA-N
MW376.76 g/mol
LogP2.35
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide

N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide (PubChem CID 135813949) has the molecular formula C16H13ClN4O5 and a molecular weight of 376.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
PubChem CID135813949
Molecular FormulaC16H13ClN4O5
Molecular Weight376.76 g/mol
Exact Mass376.06
IUPAC NameN-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C16H13ClN4O5/c1-9-2-4-11(7-12(9)17)19-15(23)16(24)20-18-8-10-3-5-14(22)13(6-10)21(25)26/h2-8,22H,1H3,(H,19,23)(H,20,24)/b18-8+
InChIKeyVFTWJOUDUXSOFB-QGMBQPNBSA-N
XLogP2.35
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.76
LogP ≤ 52.35
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'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135813981
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol
CID 136704830
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813962
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813963
N-(3-chloro-4-methylphenyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 4596393
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135813958
N-(4-ethylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813977
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813992
N-(3-chloro-4-methylphenyl)-N'-[(4-chloro-3-nitrophenyl)methylideneamino]butanediamide
CID 3891908
N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 19660391
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136909047
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol
CID 137100120

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide (CID 135813949) is N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide is Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide?
The InChIKey is VFTWJOUDUXSOFB-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H13ClN4O5/c1-9-2-4-11(7-12(9)17)19-15(23)16(24)20-18-8-10-3-5-14(22)13(6-10)21(25)26/h2-8,22H,1H3,(H,19,23)(H,20,24)/b18-8+.
What are the key properties of N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide?
N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide has a molecular weight of 376.76 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 135813949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).