N'-(3-chlorophenyl)-N-hydroxy-2-(3-phenylcyclopentyl)ethanimidamide

C19H21ClN2O — CID 129051613

IUPACN'-(3-chlorophenyl)-N-hydroxy-2-(3-phenylcyclopentyl)ethanimidamide
SMILESON/C(CC1CCC(c2ccccc2)C1)=N\c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c20-17-7-4-8-18(13-17)21-19(22-23)12-14-9-10-16(11-14)15-5-2-1-3-6-15/h1-8,13-14,16,23H,9-12H2,(H,21,22)
InChIKeyLZRZLNOHNZORPZ-UHFFFAOYSA-N
MW328.84 g/mol
LogP5.32
Rot. Bonds4

About N'-(3-chlorophenyl)-N-hydroxy-2-(3-phenylcyclopentyl)ethanimidamide

N'-(3-chlorophenyl)-N-hydroxy-2-(3-phenylcyclopentyl)ethanimidamide (PubChem CID 129051613) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-hydroxy-2-(3-phenylcyclopentyl)ethanimidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-hydroxy-2-(3-phenylcyclopentyl)ethanimidamide
PubChem CID129051613
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN'-(3-chlorophenyl)-N-hydroxy-2-(3-phenylcyclopentyl)ethanimidamide
SMILESON/C(CC1CCC(c2ccccc2)C1)=N\c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c20-17-7-4-8-18(13-17)21-19(22-23)12-14-9-10-16(11-14)15-5-2-1-3-6-15/h1-8,13-14,16,23H,9-12H2,(H,21,22)
InChIKeyLZRZLNOHNZORPZ-UHFFFAOYSA-N
XLogP5.32
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.84
LogP ≤ 55.32
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-(3-phenylcyclopentyl)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-(3-phenylcyclopentyl)ethanimidamide?
The IUPAC name of N'-(3-chlorophenyl)-N-hydroxy-2-(3-phenylcyclopentyl)ethanimidamide (CID 129051613) is N'-(3-chlorophenyl)-N-hydroxy-2-(3-phenylcyclopentyl)ethanimidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-hydroxy-2-(3-phenylcyclopentyl)ethanimidamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-hydroxy-2-(3-phenylcyclopentyl)ethanimidamide is ON/C(CC1CCC(c2ccccc2)C1)=N\c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-hydroxy-2-(3-phenylcyclopentyl)ethanimidamide?
The InChIKey is LZRZLNOHNZORPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-7-4-8-18(13-17)21-19(22-23)12-14-9-10-16(11-14)15-5-2-1-3-6-15/h1-8,13-14,16,23H,9-12H2,(H,21,22).
What are the key properties of N'-(3-chlorophenyl)-N-hydroxy-2-(3-phenylcyclopentyl)ethanimidamide?
N'-(3-chlorophenyl)-N-hydroxy-2-(3-phenylcyclopentyl)ethanimidamide has a molecular weight of 328.84 g/mol, XLogP of 5.32, 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-(3-phenylcyclopentyl)ethanimidamide is sourced from PubChem (CID 129051613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).