5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide

C15H17ClN2O2 — CID 76905936

IUPAC5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide
SMILESNC(CCCCOc1ccc(Cl)c2ccccc12)=NO
InChIInChI=1S/C15H17ClN2O2/c16-13-8-9-14(12-6-2-1-5-11(12)13)20-10-4-3-7-15(17)18-19/h1-2,5-6,8-9,19H,3-4,7,10H2,(H2,17,18)
InChIKeyLNWWXTCVRMCLFX-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.79
Rot. Bonds6

About 5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide

5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide (PubChem CID 76905936) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide
PubChem CID76905936
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide
SMILESNC(CCCCOc1ccc(Cl)c2ccccc12)=NO
InChIInChI=1S/C15H17ClN2O2/c16-13-8-9-14(12-6-2-1-5-11(12)13)20-10-4-3-7-15(17)18-19/h1-2,5-6,8-9,19H,3-4,7,10H2,(H2,17,18)
InChIKeyLNWWXTCVRMCLFX-UHFFFAOYSA-N
XLogP3.79
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide 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 5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide?
The IUPAC name of 5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide (CID 76905936) is 5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide is NC(CCCCOc1ccc(Cl)c2ccccc12)=NO.
What is the InChIKey of 5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide?
The InChIKey is LNWWXTCVRMCLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-13-8-9-14(12-6-2-1-5-11(12)13)20-10-4-3-7-15(17)18-19/h1-2,5-6,8-9,19H,3-4,7,10H2,(H2,17,18).
What are the key properties of 5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide?
5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide has a molecular weight of 292.77 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide is sourced from PubChem (CID 76905936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).