N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride

C19H22ClFN2 — CID 3043196

IUPACN'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride
SMILESCl.Fc1ccc(N/C(=N/C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21FN2.ClH/c20-16-11-13-18(14-12-16)22-19(15-7-3-1-4-8-15)21-17-9-5-2-6-10-17;/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,21,22);1H
InChIKeyWXEYHQHCHBRLKX-UHFFFAOYSA-N
MW332.85 g/mol
LogP5.44
Rot. Bonds3

About N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride

N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride (PubChem CID 3043196) has the molecular formula C19H22ClFN2 and a molecular weight of 332.85 g/mol. Its IUPAC name is N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride
PubChem CID3043196
Molecular FormulaC19H22ClFN2
Molecular Weight332.85 g/mol
Exact Mass332.15
IUPAC NameN'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride
SMILESCl.Fc1ccc(N/C(=N/C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21FN2.ClH/c20-16-11-13-18(14-12-16)22-19(15-7-3-1-4-8-15)21-17-9-5-2-6-10-17;/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,21,22);1H
InChIKeyWXEYHQHCHBRLKX-UHFFFAOYSA-N
XLogP5.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.85
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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T0501-0864
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CID 147804

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride?
The IUPAC name of N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride (CID 3043196) is N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride?
The canonical SMILES for N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride is Cl.Fc1ccc(N/C(=N/C2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride?
The InChIKey is WXEYHQHCHBRLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2.ClH/c20-16-11-13-18(14-12-16)22-19(15-7-3-1-4-8-15)21-17-9-5-2-6-10-17;/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,21,22);1H.
What are the key properties of N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride?
N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 3043196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).