N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide

C20H21ClN2O — CID 118569594

IUPACN'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide
SMILESON/C(CC1CC=C(c2ccccc2)CC1)=N\c1cccc(Cl)c1
InChIInChI=1S/C20H21ClN2O/c21-18-7-4-8-19(14-18)22-20(23-24)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-8,11,14-15,24H,9-10,12-13H2,(H,22,23)
InChIKeyFWWWPUALKFFMPM-UHFFFAOYSA-N
MW340.85 g/mol
LogP5.62
Rot. Bonds4

About N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide

N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide (PubChem CID 118569594) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide
PubChem CID118569594
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC NameN'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide
SMILESON/C(CC1CC=C(c2ccccc2)CC1)=N\c1cccc(Cl)c1
InChIInChI=1S/C20H21ClN2O/c21-18-7-4-8-19(14-18)22-20(23-24)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-8,11,14-15,24H,9-10,12-13H2,(H,22,23)
InChIKeyFWWWPUALKFFMPM-UHFFFAOYSA-N
XLogP5.62
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.85
LogP ≤ 55.62
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'}

Analyze N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide 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'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide?
The IUPAC name of N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide (CID 118569594) is N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide is ON/C(CC1CC=C(c2ccccc2)CC1)=N\c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide?
The InChIKey is FWWWPUALKFFMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c21-18-7-4-8-19(14-18)22-20(23-24)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-8,11,14-15,24H,9-10,12-13H2,(H,22,23).
What are the key properties of N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide?
N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide has a molecular weight of 340.85 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide is sourced from PubChem (CID 118569594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).