N-amino-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide

C13H17ClFN3 — CID 61362740

IUPACN-amino-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H17ClFN3/c14-9-6-7-12(15)11(8-9)13(18-16)17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18)
InChIKeyUBBNGIQVLPZDOA-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.02
Rot. Bonds2

About N-amino-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide

N-amino-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide (PubChem CID 61362740) has the molecular formula C13H17ClFN3 and a molecular weight of 269.75 g/mol. Its IUPAC name is N-amino-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide
PubChem CID61362740
Molecular FormulaC13H17ClFN3
Molecular Weight269.75 g/mol
Exact Mass269.11
IUPAC NameN-amino-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H17ClFN3/c14-9-6-7-12(15)11(8-9)13(18-16)17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18)
InChIKeyUBBNGIQVLPZDOA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide?
The IUPAC name of N-amino-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide (CID 61362740) is N-amino-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide.
What is the SMILES notation for N-amino-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide?
The canonical SMILES for N-amino-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide is NN/C(=N\C1CCCCC1)c1cc(Cl)ccc1F.
What is the InChIKey of N-amino-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide?
The InChIKey is UBBNGIQVLPZDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3/c14-9-6-7-12(15)11(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-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide?
N-amino-5-chloro-N'-cyclohexyl-2-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-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 61362740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).