N'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide

C11H9ClN2O — CID 20763389

IUPACN'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide
SMILESON/C=N/c1ccc(Cl)c2ccccc12
InChIInChI=1S/C11H9ClN2O/c12-10-5-6-11(13-7-14-15)9-4-2-1-3-8(9)10/h1-7,15H,(H,13,14)
InChIKeyYRQSLGSHYJKZKS-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.13
Rot. Bonds2

About N'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide

N'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide (PubChem CID 20763389) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is N'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide
PubChem CID20763389
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC NameN'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide
SMILESON/C=N/c1ccc(Cl)c2ccccc12
InChIInChI=1S/C11H9ClN2O/c12-10-5-6-11(13-7-14-15)9-4-2-1-3-8(9)10/h1-7,15H,(H,13,14)
InChIKeyYRQSLGSHYJKZKS-UHFFFAOYSA-N
XLogP3.13
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.13
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide?
The IUPAC name of N'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide (CID 20763389) is N'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide.
What is the SMILES notation for N'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide?
The canonical SMILES for N'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide is ON/C=N/c1ccc(Cl)c2ccccc12.
What is the InChIKey of N'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide?
The InChIKey is YRQSLGSHYJKZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-10-5-6-11(13-7-14-15)9-4-2-1-3-8(9)10/h1-7,15H,(H,13,14).
What are the key properties of N'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide?
N'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide has a molecular weight of 220.66 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloronaphthalen-1-yl)-N-hydroxymethanimidamide is sourced from PubChem (CID 20763389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).