N'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide

C19H22ClN3O — CID 118569505

IUPACN'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide
SMILESON/C(CC1CCC(c2ccccn2)CC1)=N\c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O/c20-16-4-3-5-17(13-16)22-19(23-24)12-14-7-9-15(10-8-14)18-6-1-2-11-21-18/h1-6,11,13-15,24H,7-10,12H2,(H,22,23)
InChIKeyOQIPNSIOVSKLLR-UHFFFAOYSA-N
MW343.86 g/mol
LogP5.11
Rot. Bonds4

About N'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide

N'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide (PubChem CID 118569505) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide
PubChem CID118569505
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide
SMILESON/C(CC1CCC(c2ccccn2)CC1)=N\c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O/c20-16-4-3-5-17(13-16)22-19(23-24)12-14-7-9-15(10-8-14)18-6-1-2-11-21-18/h1-6,11,13-15,24H,7-10,12H2,(H,22,23)
InChIKeyOQIPNSIOVSKLLR-UHFFFAOYSA-N
XLogP5.11
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.86
LogP ≤ 55.11
H-Bond Donors ≤ 52
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-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide?
The IUPAC name of N'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide (CID 118569505) is N'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide is ON/C(CC1CCC(c2ccccn2)CC1)=N\c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide?
The InChIKey is OQIPNSIOVSKLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-16-4-3-5-17(13-16)22-19(23-24)12-14-7-9-15(10-8-14)18-6-1-2-11-21-18/h1-6,11,13-15,24H,7-10,12H2,(H,22,23).
What are the key properties of N'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide?
N'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide has a molecular weight of 343.86 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide is sourced from PubChem (CID 118569505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).