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

C21H25ClN2O2 — CID 118569498

IUPACN'-(3-chlorophenyl)-N-hydroxy-2-[4-[4-(hydroxymethyl)phenyl]cyclohexyl]ethanimidamide
SMILESOCc1ccc(C2CCC(C/C(=N/c3cccc(Cl)c3)NO)CC2)cc1
InChIInChI=1S/C21H25ClN2O2/c22-19-2-1-3-20(13-19)23-21(24-26)12-15-4-8-17(9-5-15)18-10-6-16(14-25)7-11-18/h1-3,6-7,10-11,13,15,17,25-26H,4-5,8-9,12,14H2,(H,23,24)
InChIKeyRLNBLGYSSOYABR-UHFFFAOYSA-N
MW372.90 g/mol
LogP5.21
Rot. Bonds5

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

N'-(3-chlorophenyl)-N-hydroxy-2-[4-[4-(hydroxymethyl)phenyl]cyclohexyl]ethanimidamide (PubChem CID 118569498) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-hydroxy-2-[4-[4-(hydroxymethyl)phenyl]cyclohexyl]ethanimidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-hydroxy-2-[4-[4-(hydroxymethyl)phenyl]cyclohexyl]ethanimidamide
PubChem CID118569498
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN'-(3-chlorophenyl)-N-hydroxy-2-[4-[4-(hydroxymethyl)phenyl]cyclohexyl]ethanimidamide
SMILESOCc1ccc(C2CCC(C/C(=N/c3cccc(Cl)c3)NO)CC2)cc1
InChIInChI=1S/C21H25ClN2O2/c22-19-2-1-3-20(13-19)23-21(24-26)12-15-4-8-17(9-5-15)18-10-6-16(14-25)7-11-18/h1-3,6-7,10-11,13,15,17,25-26H,4-5,8-9,12,14H2,(H,23,24)
InChIKeyRLNBLGYSSOYABR-UHFFFAOYSA-N
XLogP5.21
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 55.21
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-(hydroxymethyl)phenyl]cyclohexyl]ethanimidamide?
The IUPAC name of N'-(3-chlorophenyl)-N-hydroxy-2-[4-[4-(hydroxymethyl)phenyl]cyclohexyl]ethanimidamide (CID 118569498) is N'-(3-chlorophenyl)-N-hydroxy-2-[4-[4-(hydroxymethyl)phenyl]cyclohexyl]ethanimidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-hydroxy-2-[4-[4-(hydroxymethyl)phenyl]cyclohexyl]ethanimidamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-hydroxy-2-[4-[4-(hydroxymethyl)phenyl]cyclohexyl]ethanimidamide is OCc1ccc(C2CCC(C/C(=N/c3cccc(Cl)c3)NO)CC2)cc1.
What is the InChIKey of N'-(3-chlorophenyl)-N-hydroxy-2-[4-[4-(hydroxymethyl)phenyl]cyclohexyl]ethanimidamide?
The InChIKey is RLNBLGYSSOYABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-19-2-1-3-20(13-19)23-21(24-26)12-15-4-8-17(9-5-15)18-10-6-16(14-25)7-11-18/h1-3,6-7,10-11,13,15,17,25-26H,4-5,8-9,12,14H2,(H,23,24).
What are the key properties of N'-(3-chlorophenyl)-N-hydroxy-2-[4-[4-(hydroxymethyl)phenyl]cyclohexyl]ethanimidamide?
N'-(3-chlorophenyl)-N-hydroxy-2-[4-[4-(hydroxymethyl)phenyl]cyclohexyl]ethanimidamide has a molecular weight of 372.90 g/mol, XLogP of 5.21, 5 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-(hydroxymethyl)phenyl]cyclohexyl]ethanimidamide is sourced from PubChem (CID 118569498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).