4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide

C14H15ClN2O2 — CID 43804667

IUPAC4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide
SMILESN/C(CCCOc1ccc(Cl)c2ccccc12)=N\O
InChIInChI=1S/C14H15ClN2O2/c15-12-7-8-13(11-5-2-1-4-10(11)12)19-9-3-6-14(16)17-18/h1-2,4-5,7-8,18H,3,6,9H2,(H2,16,17)
InChIKeySQSMJPYYYFGCDO-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.40
Rot. Bonds5

About 4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide

4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide (PubChem CID 43804667) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide
PubChem CID43804667
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide
SMILESN/C(CCCOc1ccc(Cl)c2ccccc12)=N\O
InChIInChI=1S/C14H15ClN2O2/c15-12-7-8-13(11-5-2-1-4-10(11)12)19-9-3-6-14(16)17-18/h1-2,4-5,7-8,18H,3,6,9H2,(H2,16,17)
InChIKeySQSMJPYYYFGCDO-UHFFFAOYSA-N
XLogP3.40
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.40
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide?
The IUPAC name of 4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide (CID 43804667) is 4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide is N/C(CCCOc1ccc(Cl)c2ccccc12)=N\O.
What is the InChIKey of 4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide?
The InChIKey is SQSMJPYYYFGCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-12-7-8-13(11-5-2-1-4-10(11)12)19-9-3-6-14(16)17-18/h1-2,4-5,7-8,18H,3,6,9H2,(H2,16,17).
What are the key properties of 4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide?
4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide has a molecular weight of 278.74 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide is sourced from PubChem (CID 43804667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).