N-amino-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide

C13H17ClFN3 — CID 82879215

IUPACN-amino-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFN3/c14-11-8-9(6-7-12(11)15)13(18-16)17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18)
InChIKeyZXZXPUSXMCHCSM-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.02
Rot. Bonds2

About N-amino-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide

N-amino-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide (PubChem CID 82879215) has the molecular formula C13H17ClFN3 and a molecular weight of 269.75 g/mol. Its IUPAC name is N-amino-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide
PubChem CID82879215
Molecular FormulaC13H17ClFN3
Molecular Weight269.75 g/mol
Exact Mass269.11
IUPAC NameN-amino-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFN3/c14-11-8-9(6-7-12(11)15)13(18-16)17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18)
InChIKeyZXZXPUSXMCHCSM-UHFFFAOYSA-N
XLogP3.02
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.02
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-3-chloro-N'-cyclohexyl-4-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-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide?
The IUPAC name of N-amino-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide (CID 82879215) is N-amino-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide.
What is the SMILES notation for N-amino-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide?
The canonical SMILES for N-amino-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide is NN/C(=N\C1CCCCC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-amino-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide?
The InChIKey is ZXZXPUSXMCHCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3/c14-11-8-9(6-7-12(11)15)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-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide?
N-amino-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide has a molecular weight of 269.75 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide is sourced from PubChem (CID 82879215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).