N-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide

C19H17FN4 — CID 135227661

IUPACN-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide
SMILESNN/C(=N\c1ccccc1F)c1ccccc1-c1ccccc1N
InChIInChI=1S/C19H17FN4/c20-16-10-4-6-12-18(16)23-19(24-22)15-9-2-1-7-13(15)14-8-3-5-11-17(14)21/h1-12H,21-22H2,(H,23,24)
InChIKeyAKXLDEYPLGGRPA-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.62
Rot. Bonds3

About N-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide

N-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide (PubChem CID 135227661) has the molecular formula C19H17FN4 and a molecular weight of 320.37 g/mol. Its IUPAC name is N-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide
PubChem CID135227661
Molecular FormulaC19H17FN4
Molecular Weight320.37 g/mol
Exact Mass320.14
IUPAC NameN-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide
SMILESNN/C(=N\c1ccccc1F)c1ccccc1-c1ccccc1N
InChIInChI=1S/C19H17FN4/c20-16-10-4-6-12-18(16)23-19(24-22)15-9-2-1-7-13(15)14-8-3-5-11-17(14)21/h1-12H,21-22H2,(H,23,24)
InChIKeyAKXLDEYPLGGRPA-UHFFFAOYSA-N
XLogP3.62
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide?
The IUPAC name of N-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide (CID 135227661) is N-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide.
What is the SMILES notation for N-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide?
The canonical SMILES for N-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide is NN/C(=N\c1ccccc1F)c1ccccc1-c1ccccc1N.
What is the InChIKey of N-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide?
The InChIKey is AKXLDEYPLGGRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4/c20-16-10-4-6-12-18(16)23-19(24-22)15-9-2-1-7-13(15)14-8-3-5-11-17(14)21/h1-12H,21-22H2,(H,23,24).
What are the key properties of N-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide?
N-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide has a molecular weight of 320.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide is sourced from PubChem (CID 135227661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).