N-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide

C13H17BrFN3 — CID 61361937

IUPACN-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C13H17BrFN3/c14-9-6-7-11(12(15)8-9)13(18-16)17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18)
InChIKeyXAVZWTJNCIJDAA-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.13
Rot. Bonds2

About N-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide

N-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide (PubChem CID 61361937) has the molecular formula C13H17BrFN3 and a molecular weight of 314.20 g/mol. Its IUPAC name is N-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide
PubChem CID61361937
Molecular FormulaC13H17BrFN3
Molecular Weight314.20 g/mol
Exact Mass313.06
IUPAC NameN-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C13H17BrFN3/c14-9-6-7-11(12(15)8-9)13(18-16)17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18)
InChIKeyXAVZWTJNCIJDAA-UHFFFAOYSA-N
XLogP3.13
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze N-amino-4-bromo-N'-cyclohexyl-2-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-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide?
The IUPAC name of N-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide (CID 61361937) is N-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide.
What is the SMILES notation for N-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide?
The canonical SMILES for N-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide is NN/C(=N\C1CCCCC1)c1ccc(Br)cc1F.
What is the InChIKey of N-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide?
The InChIKey is XAVZWTJNCIJDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN3/c14-9-6-7-11(12(15)8-9)13(18-16)17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18).
What are the key properties of N-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide?
N-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide has a molecular weight of 314.20 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-bromo-N'-cyclohexyl-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 61361937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).