N'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide

C20H23ClN2O2 — CID 118569603

IUPACN'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide
SMILESON/C(CC1CCC(c2ccc(O)cc2)CC1)=N\c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c21-17-2-1-3-18(13-17)22-20(23-25)12-14-4-6-15(7-5-14)16-8-10-19(24)11-9-16/h1-3,8-11,13-15,24-25H,4-7,12H2,(H,22,23)
InChIKeyVVAZUFKBTYPCGK-UHFFFAOYSA-N
MW358.87 g/mol
LogP5.42
Rot. Bonds4

About N'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide

N'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide (PubChem CID 118569603) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide
PubChem CID118569603
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide
SMILESON/C(CC1CCC(c2ccc(O)cc2)CC1)=N\c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c21-17-2-1-3-18(13-17)22-20(23-25)12-14-4-6-15(7-5-14)16-8-10-19(24)11-9-16/h1-3,8-11,13-15,24-25H,4-7,12H2,(H,22,23)
InChIKeyVVAZUFKBTYPCGK-UHFFFAOYSA-N
XLogP5.42
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.87
LogP ≤ 55.42
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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Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide?
The IUPAC name of N'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide (CID 118569603) is N'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide is ON/C(CC1CCC(c2ccc(O)cc2)CC1)=N\c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide?
The InChIKey is VVAZUFKBTYPCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-17-2-1-3-18(13-17)22-20(23-25)12-14-4-6-15(7-5-14)16-8-10-19(24)11-9-16/h1-3,8-11,13-15,24-25H,4-7,12H2,(H,22,23).
What are the key properties of N'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide?
N'-(3-chlorophenyl)-N-hydroxy-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide has a molecular weight of 358.87 g/mol, XLogP of 5.42, 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-[4-(4-hydroxyphenyl)cyclohexyl]ethanimidamide is sourced from PubChem (CID 118569603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).