N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide

C16H12N4O2 — CID 19661465

IUPACN'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C16H12N4O2/c17-10-12-6-8-14(9-7-12)19-15(21)16(22)20-18-11-13-4-2-1-3-5-13/h1-9,11H,(H,19,21)(H,20,22)/b18-11+
InChIKeyVQHXENNTPSJYME-WOJGMQOQSA-N
MW292.30 g/mol
LogP1.65
Rot. Bonds3

About N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide

N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide (PubChem CID 19661465) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide
PubChem CID19661465
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC NameN'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C16H12N4O2/c17-10-12-6-8-14(9-7-12)19-15(21)16(22)20-18-11-13-4-2-1-3-5-13/h1-9,11H,(H,19,21)(H,20,22)/b18-11+
InChIKeyVQHXENNTPSJYME-WOJGMQOQSA-N
XLogP1.65
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-cyanophenyl)methylideneamino]-N-phenyloxamide
CID 3544444
N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide
CID 19659771
N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 19660375
N'-(benzylideneamino)-N-(3-methylphenyl)oxamide
CID 4143039
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3376598
N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 94833523
methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
N-(4-cyanophenyl)-2-hydroxyprop-2-enamide
CID 141009909
[[4-(4-cyanophenyl)phenyl]methylideneamino]urea
CID 168532335

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide?
The IUPAC name of N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide (CID 19661465) is N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide.
What is the SMILES notation for N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide?
The canonical SMILES for N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide is N#Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1.
What is the InChIKey of N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide?
The InChIKey is VQHXENNTPSJYME-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H12N4O2/c17-10-12-6-8-14(9-7-12)19-15(21)16(22)20-18-11-13-4-2-1-3-5-13/h1-9,11H,(H,19,21)(H,20,22)/b18-11+.
What are the key properties of N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide?
N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide has a molecular weight of 292.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide is sourced from PubChem (CID 19661465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).