2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide

C14H15ClN2O2 — CID 76915869

IUPAC2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide
SMILESCCC(Oc1ccc(Cl)c2ccccc12)C(N)=NO
InChIInChI=1S/C14H15ClN2O2/c1-2-12(14(16)17-18)19-13-8-7-11(15)9-5-3-4-6-10(9)13/h3-8,12,18H,2H2,1H3,(H2,16,17)
InChIKeyRSCFEIWTKLTXIL-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.40
Rot. Bonds4

About 2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide

2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide (PubChem CID 76915869) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide
PubChem CID76915869
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide
SMILESCCC(Oc1ccc(Cl)c2ccccc12)C(N)=NO
InChIInChI=1S/C14H15ClN2O2/c1-2-12(14(16)17-18)19-13-8-7-11(15)9-5-3-4-6-10(9)13/h3-8,12,18H,2H2,1H3,(H2,16,17)
InChIKeyRSCFEIWTKLTXIL-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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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Related Compounds

3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide
CID 43804670
2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide
CID 76915922
3-(4-chloronaphthalen-1-yl)oxypentan-1-amine
CID 43804632
N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide
CID 116525378
(2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide
CID 123956670
2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine
CID 62484155
2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide
CID 55060557
2-(3-bromophenoxy)-N'-hydroxybutanimidamide
CID 76915609
1-chloro-4-methoxynaphthalene
CID 606038
2-(3-tert-butylphenoxy)-N'-hydroxybutanimidamide
CID 76915790
2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide
CID 112612856
4-(4-chloronaphthalen-1-yl)oxypentanoic acid
CID 55047842

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide (CID 76915869) is 2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide is CCC(Oc1ccc(Cl)c2ccccc12)C(N)=NO.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide?
The InChIKey is RSCFEIWTKLTXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-12(14(16)17-18)19-13-8-7-11(15)9-5-3-4-6-10(9)13/h3-8,12,18H,2H2,1H3,(H2,16,17).
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide?
2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide has a molecular weight of 278.74 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide is sourced from PubChem (CID 76915869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).