N'-anilinobenzenecarboximidamide

C13H13N3 — CID 6338223

IUPACN'-anilinobenzenecarboximidamide
SMILESN/C(=N\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N3/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H,(H2,14,16)
InChIKeyZOBKPJRHDMKXQG-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.42
Rot. Bonds3

About N'-anilinobenzenecarboximidamide

N'-anilinobenzenecarboximidamide (PubChem CID 6338223) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is N'-anilinobenzenecarboximidamide.

Molecular Properties

Compound NameN'-anilinobenzenecarboximidamide
PubChem CID6338223
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC NameN'-anilinobenzenecarboximidamide
SMILESN/C(=N\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N3/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H,(H2,14,16)
InChIKeyZOBKPJRHDMKXQG-UHFFFAOYSA-N
XLogP2.42
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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'-anilinobenzenecarboximidamide?
The IUPAC name of N'-anilinobenzenecarboximidamide (CID 6338223) is N'-anilinobenzenecarboximidamide.
What is the SMILES notation for N'-anilinobenzenecarboximidamide?
The canonical SMILES for N'-anilinobenzenecarboximidamide is N/C(=N\Nc1ccccc1)c1ccccc1.
What is the InChIKey of N'-anilinobenzenecarboximidamide?
The InChIKey is ZOBKPJRHDMKXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H,(H2,14,16).
What are the key properties of N'-anilinobenzenecarboximidamide?
N'-anilinobenzenecarboximidamide has a molecular weight of 211.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilinobenzenecarboximidamide is sourced from PubChem (CID 6338223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).