N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide

C16H14N4O4 — CID 46741725

IUPACN-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide
SMILESO=C(NCc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14N4O4/c21-15(17-10-12-5-2-1-3-6-12)16(22)19-18-11-13-7-4-8-14(9-13)20(23)24/h1-9,11H,10H2,(H,17,21)(H,19,22)/b18-11+
InChIKeyICGLIPKXVLKHNL-WOJGMQOQSA-N
MW326.31 g/mol
LogP1.36
Rot. Bonds5

About N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide

N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide (PubChem CID 46741725) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide
PubChem CID46741725
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC NameN-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide
SMILESO=C(NCc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14N4O4/c21-15(17-10-12-5-2-1-3-6-12)16(22)19-18-11-13-7-4-8-14(9-13)20(23)24/h1-9,11H,10H2,(H,17,21)(H,19,22)/b18-11+
InChIKeyICGLIPKXVLKHNL-WOJGMQOQSA-N
XLogP1.36
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
CID 3102319
N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide
CID 40531263
2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 73385252
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5050166
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
N-(2,6-dimethylphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
CID 8898610
N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide
CID 8990324
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 5398288
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 7034323
N-[(Z)-3-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 26368034

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide (CID 46741725) is N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide is O=C(NCc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide?
The InChIKey is ICGLIPKXVLKHNL-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H14N4O4/c21-15(17-10-12-5-2-1-3-6-12)16(22)19-18-11-13-7-4-8-14(9-13)20(23)24/h1-9,11H,10H2,(H,17,21)(H,19,22)/b18-11+.
What are the key properties of N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide?
N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide has a molecular weight of 326.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 46741725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).