N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide

C17H12F4N4O6 — CID 135420209

IUPACN'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1OC(F)(F)C(F)F
InChIInChI=1S/C17H12F4N4O6/c18-16(19)17(20,21)31-13-4-2-1-3-11(13)23-14(27)15(28)24-22-8-9-7-10(25(29)30)5-6-12(9)26/h1-8,16,26H,(H,23,27)(H,24,28)/b22-8+
InChIKeyNTXYJHICDRZASU-GZIVZEMBSA-N
MW444.30 g/mol
LogP2.63
Rot. Bonds7

About N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide

N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide (PubChem CID 135420209) has the molecular formula C17H12F4N4O6 and a molecular weight of 444.30 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide
PubChem CID135420209
Molecular FormulaC17H12F4N4O6
Molecular Weight444.30 g/mol
Exact Mass444.07
IUPAC NameN'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1OC(F)(F)C(F)F
InChIInChI=1S/C17H12F4N4O6/c18-16(19)17(20,21)31-13-4-2-1-3-11(13)23-14(27)15(28)24-22-8-9-7-10(25(29)30)5-6-12(9)26/h1-8,16,26H,(H,23,27)(H,24,28)/b22-8+
InChIKeyNTXYJHICDRZASU-GZIVZEMBSA-N
XLogP2.63
TPSA143.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.30
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-[(2E)-2-(2-methoxybenzylidene)hydrazino]-2-oxo-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 9597156
2-[2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxo-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 135438770
N-(2-ethoxyphenyl)-2-[2-(4-nitrobenzylidene)hydrazino]-2-oxoacetamide
CID 5344798
2-[(2E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxo-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 135419650
2-[(2E)-2-(5-chloro-2-hydroxybenzylidene)hydrazino]-2-oxo-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 135420208
2-[(2E)-2-(3-methoxybenzylidene)hydrazino]-2-oxo-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 9597154
2-(4-Ethoxyanilino)-N'-(3-nitrobenzylidene)acetohydrazide
CID 5342306
2-(2-(2-Hydroxybenzylidene)hydrazino)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 135515683
2-[(2E)-2-benzylidenehydrazinyl]-2-oxo-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 9597151
N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]-2-(phenylamino)acetohydrazide
CID 135821460
N-(4-Methoxyphenyl)-2-(2-(3-nitrobenzylidene)hydrazino)-2-oxoacetamide
CID 9693404
2-(2-(2-Hydroxybenzylidene)hydrazino)-N-(2-methoxyphenyl)-2-oxoacetamide
CID 135685209

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide?
The IUPAC name of N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide (CID 135420209) is N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide.
What is the SMILES notation for N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide?
The canonical SMILES for N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide is O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1OC(F)(F)C(F)F.
What is the InChIKey of N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide?
The InChIKey is NTXYJHICDRZASU-GZIVZEMBSA-N. The full InChI is InChI=1S/C17H12F4N4O6/c18-16(19)17(20,21)31-13-4-2-1-3-11(13)23-14(27)15(28)24-22-8-9-7-10(25(29)30)5-6-12(9)26/h1-8,16,26H,(H,23,27)(H,24,28)/b22-8+.
What are the key properties of N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide?
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide has a molecular weight of 444.30 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide is sourced from PubChem (CID 135420209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).