N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide

C20H22ClFN2O — CID 118569614

IUPACN'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide
SMILESON/C(CC1CCC(c2ccccc2)CC1)=N\c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H22ClFN2O/c21-18-13-17(10-11-19(18)22)23-20(24-25)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-5,10-11,13-14,16,25H,6-9,12H2,(H,23,24)
InChIKeySJDRSQZUXPWTHH-UHFFFAOYSA-N
MW360.86 g/mol
LogP5.85
Rot. Bonds4

About N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide

N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide (PubChem CID 118569614) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide
PubChem CID118569614
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide
SMILESON/C(CC1CCC(c2ccccc2)CC1)=N\c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H22ClFN2O/c21-18-13-17(10-11-19(18)22)23-20(24-25)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-5,10-11,13-14,16,25H,6-9,12H2,(H,23,24)
InChIKeySJDRSQZUXPWTHH-UHFFFAOYSA-N
XLogP5.85
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.86
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide (CID 118569614) is N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide is ON/C(CC1CCC(c2ccccc2)CC1)=N\c1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide?
The InChIKey is SJDRSQZUXPWTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c21-18-13-17(10-11-19(18)22)23-20(24-25)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-5,10-11,13-14,16,25H,6-9,12H2,(H,23,24).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide?
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide has a molecular weight of 360.86 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide is sourced from PubChem (CID 118569614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).