N'-(4-nitroanilino)benzenecarboximidamide

C13H12N4O2 — CID 6612279

IUPACN'-(4-nitroanilino)benzenecarboximidamide
SMILESNC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C13H12N4O2/c14-13(10-4-2-1-3-5-10)16-15-11-6-8-12(9-7-11)17(18)19/h1-9,15H,(H2,14,16)
InChIKeySEUGNVHJYJPYBB-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.33
Rot. Bonds4

About N'-(4-nitroanilino)benzenecarboximidamide

N'-(4-nitroanilino)benzenecarboximidamide (PubChem CID 6612279) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N'-(4-nitroanilino)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-nitroanilino)benzenecarboximidamide
PubChem CID6612279
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC NameN'-(4-nitroanilino)benzenecarboximidamide
SMILESNC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C13H12N4O2/c14-13(10-4-2-1-3-5-10)16-15-11-6-8-12(9-7-11)17(18)19/h1-9,15H,(H2,14,16)
InChIKeySEUGNVHJYJPYBB-UHFFFAOYSA-N
XLogP2.33
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-nitroanilino)benzenecarboximidamide?
The IUPAC name of N'-(4-nitroanilino)benzenecarboximidamide (CID 6612279) is N'-(4-nitroanilino)benzenecarboximidamide.
What is the SMILES notation for N'-(4-nitroanilino)benzenecarboximidamide?
The canonical SMILES for N'-(4-nitroanilino)benzenecarboximidamide is NC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N'-(4-nitroanilino)benzenecarboximidamide?
The InChIKey is SEUGNVHJYJPYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-13(10-4-2-1-3-5-10)16-15-11-6-8-12(9-7-11)17(18)19/h1-9,15H,(H2,14,16).
What are the key properties of N'-(4-nitroanilino)benzenecarboximidamide?
N'-(4-nitroanilino)benzenecarboximidamide has a molecular weight of 256.27 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitroanilino)benzenecarboximidamide is sourced from PubChem (CID 6612279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).