N'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide

C20H23ClN2O2 — CID 118569587

IUPACN'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide
SMILESON/C(CC1(O)CCC(c2ccccc2)CC1)=N\c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c21-17-7-4-8-18(13-17)22-19(23-25)14-20(24)11-9-16(10-12-20)15-5-2-1-3-6-15/h1-8,13,16,24-25H,9-12,14H2,(H,22,23)
InChIKeyMCDUSELJMOCUJF-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.83
Rot. Bonds4

About N'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide

N'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide (PubChem CID 118569587) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide
PubChem CID118569587
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide
SMILESON/C(CC1(O)CCC(c2ccccc2)CC1)=N\c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c21-17-7-4-8-18(13-17)22-19(23-25)14-20(24)11-9-16(10-12-20)15-5-2-1-3-6-15/h1-8,13,16,24-25H,9-12,14H2,(H,22,23)
InChIKeyMCDUSELJMOCUJF-UHFFFAOYSA-N
XLogP4.83
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.83
H-Bond Donors ≤ 53
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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Related Compounds

N'-(3-chloro-5-fluorophenyl)-3-cyclohexyl-N,3-dihydroxypropanimidamide
CID 118569494
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide
CID 118569614
N'-(3-chlorophenyl)-N-hydroxy-2-[4-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexyl]ethanimidamide
CID 118569493
N'-(3-chlorophenyl)-N-hydroxy-2-[4-[4-(hydroxymethyl)phenyl]cyclohexyl]ethanimidamide
CID 118569498
N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide
CID 118569503
N'-(4-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohexyl)ethanimidamide
CID 118569511
N'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide
CID 118569515
N'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide
CID 118569524
2-[4-(4-aminophenyl)cyclohexyl]-N'-(3-chlorophenyl)-N-hydroxyethanimidamide
CID 118569588
N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide
CID 118569594
3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide
CID 118569601
N'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide
CID 118569603

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide?
The IUPAC name of N'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide (CID 118569587) is N'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide is ON/C(CC1(O)CCC(c2ccccc2)CC1)=N\c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide?
The InChIKey is MCDUSELJMOCUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-17-7-4-8-18(13-17)22-19(23-25)14-20(24)11-9-16(10-12-20)15-5-2-1-3-6-15/h1-8,13,16,24-25H,9-12,14H2,(H,22,23).
What are the key properties of N'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide?
N'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide has a molecular weight of 358.87 g/mol, XLogP of 4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide is sourced from PubChem (CID 118569587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).