2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide

C20H24ClN3O — CID 118569588

IUPAC2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide
SMILESNc1ccc(C2CCC(C/C(=N/c3cccc(Cl)c3)NO)CC2)cc1
InChIInChI=1S/C20H24ClN3O/c21-17-2-1-3-19(13-17)23-20(24-25)12-14-4-6-15(7-5-14)16-8-10-18(22)11-9-16/h1-3,8-11,13-15,25H,4-7,12,22H2,(H,23,24)
InChIKeyPXDHKZRVHYLTQC-UHFFFAOYSA-N
MW357.89 g/mol
LogP5.30
Rot. Bonds4

About 2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide

2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide (PubChem CID 118569588) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide
PubChem CID118569588
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide
SMILESNc1ccc(C2CCC(C/C(=N/c3cccc(Cl)c3)NO)CC2)cc1
InChIInChI=1S/C20H24ClN3O/c21-17-2-1-3-19(13-17)23-20(24-25)12-14-4-6-15(7-5-14)16-8-10-18(22)11-9-16/h1-3,8-11,13-15,25H,4-7,12,22H2,(H,23,24)
InChIKeyPXDHKZRVHYLTQC-UHFFFAOYSA-N
XLogP5.30
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.89
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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'}

Analyze 2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide 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 2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide?
The IUPAC name of 2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide (CID 118569588) is 2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide is Nc1ccc(C2CCC(C/C(=N/c3cccc(Cl)c3)NO)CC2)cc1.
What is the InChIKey of 2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide?
The InChIKey is PXDHKZRVHYLTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c21-17-2-1-3-19(13-17)23-20(24-25)12-14-4-6-15(7-5-14)16-8-10-18(22)11-9-16/h1-3,8-11,13-15,25H,4-7,12,22H2,(H,23,24).
What are the key properties of 2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide?
2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide has a molecular weight of 357.89 g/mol, XLogP of 5.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide is sourced from PubChem (CID 118569588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).