N'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide

C8H8BrFN4 — CID 146637935

IUPACN'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide
SMILESN/C=N\N=C(/N)c1cc(F)ccc1Br
InChIInChI=1S/C8H8BrFN4/c9-7-2-1-5(10)3-6(7)8(12)14-13-4-11/h1-4H,(H2,11,13)(H2,12,14)
InChIKeyAIBUWVSNZVHVHZ-UHFFFAOYSA-N
MW259.08 g/mol
LogP1.20
Rot. Bonds2

About N'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide

N'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide (PubChem CID 146637935) has the molecular formula C8H8BrFN4 and a molecular weight of 259.08 g/mol. Its IUPAC name is N'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide
PubChem CID146637935
Molecular FormulaC8H8BrFN4
Molecular Weight259.08 g/mol
Exact Mass257.99
IUPAC NameN'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide
SMILESN/C=N\N=C(/N)c1cc(F)ccc1Br
InChIInChI=1S/C8H8BrFN4/c9-7-2-1-5(10)3-6(7)8(12)14-13-4-11/h1-4H,(H2,11,13)(H2,12,14)
InChIKeyAIBUWVSNZVHVHZ-UHFFFAOYSA-N
XLogP1.20
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 51.20
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'}

Analyze N'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide?
The IUPAC name of N'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide (CID 146637935) is N'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide is N/C=N\N=C(/N)c1cc(F)ccc1Br.
What is the InChIKey of N'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide?
The InChIKey is AIBUWVSNZVHVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN4/c9-7-2-1-5(10)3-6(7)8(12)14-13-4-11/h1-4H,(H2,11,13)(H2,12,14).
What are the key properties of N'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide?
N'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide has a molecular weight of 259.08 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-aminomethylideneamino]-2-bromo-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 146637935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).