N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide

C16H12N6O6 — CID 6163815

IUPACN,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])cc1)C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N6O6/c23-15(19-17-9-11-1-5-13(6-2-11)21(25)26)16(24)20-18-10-12-3-7-14(8-4-12)22(27)28/h1-10H,(H,19,23)(H,20,24)/b17-9-,18-10-
InChIKeyZQUUQVPOSAMAQO-XFQWXJFMSA-N
MW384.31 g/mol
LogP1.10
Rot. Bonds6

About N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide

N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide (PubChem CID 6163815) has the molecular formula C16H12N6O6 and a molecular weight of 384.31 g/mol. Its IUPAC name is N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
PubChem CID6163815
Molecular FormulaC16H12N6O6
Molecular Weight384.31 g/mol
Exact Mass384.08
IUPAC NameN,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])cc1)C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N6O6/c23-15(19-17-9-11-1-5-13(6-2-11)21(25)26)16(24)20-18-10-12-3-7-14(8-4-12)22(27)28/h1-10H,(H,19,23)(H,20,24)/b17-9-,18-10-
InChIKeyZQUUQVPOSAMAQO-XFQWXJFMSA-N
XLogP1.10
TPSA169.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide
CID 5363154
N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4187128
N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
CID 19661491
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768
N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6187350
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6030367
ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6899031
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
CID 10543618
2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 6881941

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide (CID 6163815) is N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide is O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide?
The InChIKey is ZQUUQVPOSAMAQO-XFQWXJFMSA-N. The full InChI is InChI=1S/C16H12N6O6/c23-15(19-17-9-11-1-5-13(6-2-11)21(25)26)16(24)20-18-10-12-3-7-14(8-4-12)22(27)28/h1-10H,(H,19,23)(H,20,24)/b17-9-,18-10-.
What are the key properties of N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide?
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide has a molecular weight of 384.31 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 6163815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).