3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide

C13H13ClN2O2 — CID 43804668

IUPAC3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide
SMILESN/C(CCOc1ccc(Cl)c2ccccc12)=N\O
InChIInChI=1S/C13H13ClN2O2/c14-11-5-6-12(18-8-7-13(15)16-17)10-4-2-1-3-9(10)11/h1-6,17H,7-8H2,(H2,15,16)
InChIKeyNFUACEPHCZQETG-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.01
Rot. Bonds4

About 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide

3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide (PubChem CID 43804668) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide
PubChem CID43804668
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide
SMILESN/C(CCOc1ccc(Cl)c2ccccc12)=N\O
InChIInChI=1S/C13H13ClN2O2/c14-11-5-6-12(18-8-7-13(15)16-17)10-4-2-1-3-9(10)11/h1-6,17H,7-8H2,(H2,15,16)
InChIKeyNFUACEPHCZQETG-UHFFFAOYSA-N
XLogP3.01
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.01
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide?
The IUPAC name of 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide (CID 43804668) is 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide is N/C(CCOc1ccc(Cl)c2ccccc12)=N\O.
What is the InChIKey of 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide?
The InChIKey is NFUACEPHCZQETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-11-5-6-12(18-8-7-13(15)16-17)10-4-2-1-3-9(10)11/h1-6,17H,7-8H2,(H2,15,16).
What are the key properties of 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide?
3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide has a molecular weight of 264.71 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypropanimidamide is sourced from PubChem (CID 43804668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).