N'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide

C15H20ClFN2O2 — CID 118569494

IUPACN'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide
SMILESON/C(CC(O)C1CCCCC1)=N\c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H20ClFN2O2/c16-11-6-12(17)8-13(7-11)18-15(19-21)9-14(20)10-4-2-1-3-5-10/h6-8,10,14,20-21H,1-5,9H2,(H,18,19)
InChIKeyQHWRTPCWJMBESW-UHFFFAOYSA-N
MW314.79 g/mol
LogP3.82
Rot. Bonds4

About N'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide

N'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide (PubChem CID 118569494) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is N'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide.

Molecular Properties

Compound NameN'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide
PubChem CID118569494
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC NameN'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide
SMILESON/C(CC(O)C1CCCCC1)=N\c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H20ClFN2O2/c16-11-6-12(17)8-13(7-11)18-15(19-21)9-14(20)10-4-2-1-3-5-10/h6-8,10,14,20-21H,1-5,9H2,(H,18,19)
InChIKeyQHWRTPCWJMBESW-UHFFFAOYSA-N
XLogP3.82
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide?
The IUPAC name of N'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide (CID 118569494) is N'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide.
What is the SMILES notation for N'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide?
The canonical SMILES for N'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide is ON/C(CC(O)C1CCCCC1)=N\c1cc(F)cc(Cl)c1.
What is the InChIKey of N'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide?
The InChIKey is QHWRTPCWJMBESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2/c16-11-6-12(17)8-13(7-11)18-15(19-21)9-14(20)10-4-2-1-3-5-10/h6-8,10,14,20-21H,1-5,9H2,(H,18,19).
What are the key properties of N'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide?
N'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide has a molecular weight of 314.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide is sourced from PubChem (CID 118569494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).