N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide

C14H12N4O2 — CID 70171064

IUPACN'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
SMILESNC(=NN=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C14H12N4O2/c15-14(12-4-2-1-3-5-12)17-16-10-11-6-8-13(9-7-11)18(19)20/h1-10H,(H2,15,17)
InChIKeyQRIRXILKUSXJNY-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.33
Rot. Bonds4

About N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide

N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide (PubChem CID 70171064) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
PubChem CID70171064
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
SMILESNC(=NN=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C14H12N4O2/c15-14(12-4-2-1-3-5-12)17-16-10-11-6-8-13(9-7-11)18(19)20/h1-10H,(H2,15,17)
InChIKeyQRIRXILKUSXJNY-UHFFFAOYSA-N
XLogP2.33
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 13000099
1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine
CID 6765521
methyl N'-[(Z)-(4-nitrophenyl)methylideneamino]carbamimidothioate
CID 6511843
N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide
CID 23469557
(E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine
CID 139599982
N'-[(E)-(4-nitrophenyl)methylideneamino]adamantane-1-carboximidamide
CID 56693486
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 23469562
N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide
CID 88763345
2-[(4-nitrophenyl)methylideneamino]benzamide
CID 910209

Frequently Asked Questions

What is the IUPAC name of N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide?
The IUPAC name of N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide (CID 70171064) is N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide.
What is the SMILES notation for N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide?
The canonical SMILES for N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide is NC(=NN=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide?
The InChIKey is QRIRXILKUSXJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-14(12-4-2-1-3-5-12)17-16-10-11-6-8-13(9-7-11)18(19)20/h1-10H,(H2,15,17).
What are the key properties of N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide?
N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide has a molecular weight of 268.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide is sourced from PubChem (CID 70171064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).