3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxy-2-methylpropanimidamide

C14H15ClN2O2 — CID 43804669

IUPAC3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxy-2-methylpropanimidamide
SMILESCC(COc1ccc(Cl)c2ccccc12)/C(N)=N/O
InChIInChI=1S/C14H15ClN2O2/c1-9(14(16)17-18)8-19-13-7-6-12(15)10-4-2-3-5-11(10)13/h2-7,9,18H,8H2,1H3,(H2,16,17)
InChIKeyGQDPHOWIXZBZMA-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.25
Rot. Bonds4

About 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxy-2-methylpropanimidamide

3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxy-2-methylpropanimidamide (PubChem CID 43804669) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxy-2-methylpropanimidamide
PubChem CID43804669
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxy-2-methylpropanimidamide
SMILESCC(COc1ccc(Cl)c2ccccc12)/C(N)=N/O
InChIInChI=1S/C14H15ClN2O2/c1-9(14(16)17-18)8-19-13-7-6-12(15)10-4-2-3-5-11(10)13/h2-7,9,18H,8H2,1H3,(H2,16,17)
InChIKeyGQDPHOWIXZBZMA-UHFFFAOYSA-N
XLogP3.25
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxy-2-methylpropanimidamide (CID 43804669) is 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxy-2-methylpropanimidamide is CC(COc1ccc(Cl)c2ccccc12)/C(N)=N/O.
What is the InChIKey of 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is GQDPHOWIXZBZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9(14(16)17-18)8-19-13-7-6-12(15)10-4-2-3-5-11(10)13/h2-7,9,18H,8H2,1H3,(H2,16,17).
What are the key properties of 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxy-2-methylpropanimidamide?
3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 278.74 g/mol, XLogP of 3.25, 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'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 43804669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).