4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide

C15H14N4O2 — CID 54412379

IUPAC4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
SMILESN/C(=N\C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1
InChIInChI=1S/C15H14N4O2/c16-13-5-3-12(4-6-13)15(17)18-10-9-11-1-7-14(8-2-11)19(20)21/h1-10H,16H2,(H2,17,18)
InChIKeyVVALVBHXSUBWJI-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.55
Rot. Bonds4

About 4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide

4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide (PubChem CID 54412379) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
PubChem CID54412379
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
SMILESN/C(=N\C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1
InChIInChI=1S/C15H14N4O2/c16-13-5-3-12(4-6-13)15(17)18-10-9-11-1-7-14(8-2-11)19(20)21/h1-10H,16H2,(H2,17,18)
InChIKeyVVALVBHXSUBWJI-UHFFFAOYSA-N
XLogP2.55
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 23469562
N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 13000099
4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide
CID 23469521
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
4-(dimethylamino)-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide;2-hydroxyethanesulfonic acid
CID 74054381
azane;formic acid;4-nitroaniline
CID 175013455
4-[(4-nitrophenyl)iminomethyl]aniline
CID 15515058
methyl 4-[2-(4-aminophenyl)ethyl]benzoate;methyl 4-[(E)-2-(4-nitrophenyl)ethenyl]benzoate
CID 158867774
N-[[amino-(4-nitrophenyl)methylidene]amino]formamide
CID 131741178
N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide
CID 88763345
1-(4-aminophenyl)ethanone;1-(4-nitrophenyl)ethanone
CID 174531319
sodium;hydride;4-nitroaniline
CID 174897540

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide?
The IUPAC name of 4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide (CID 54412379) is 4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide.
What is the SMILES notation for 4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide?
The canonical SMILES for 4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide is N/C(=N\C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide?
The InChIKey is VVALVBHXSUBWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-13-5-3-12(4-6-13)15(17)18-10-9-11-1-7-14(8-2-11)19(20)21/h1-10H,16H2,(H2,17,18).
What are the key properties of 4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide?
4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide has a molecular weight of 282.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide is sourced from PubChem (CID 54412379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).