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

C15H17ClN2O2 — CID 43804670

IUPAC3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H17ClN2O2/c1-2-10(9-15(17)18-19)20-14-8-7-13(16)11-5-3-4-6-12(11)14/h3-8,10,19H,2,9H2,1H3,(H2,17,18)
InChIKeyWQBQSJNMKPZBQQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.79
Rot. Bonds5

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

3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide (PubChem CID 43804670) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide
PubChem CID43804670
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H17ClN2O2/c1-2-10(9-15(17)18-19)20-14-8-7-13(16)11-5-3-4-6-12(11)14/h3-8,10,19H,2,9H2,1H3,(H2,17,18)
InChIKeyWQBQSJNMKPZBQQ-UHFFFAOYSA-N
XLogP3.79
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': '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

1-[6-(4-Chloronaphthalen-1-yl)oxyhexoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44522928
(+)-N-Hydroxy-2-(1-naphthalenyloxy)propanimidamide monohydrochloride
CID 9588151
Naprodoxime hydrochloride
CID 5746200
3-(4-Chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine
CID 43804627
1-[6-(4-Chloronaphthalen-1-yl)oxyhexoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 44522929
2-[(4-Chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide
CID 103370998
Naprodoxime HCl
CID 3054112
N'-hydroxy-2-naphthalen-1-yloxybutanimidamide
CID 21508270
N'-hydroxy-4-naphthalen-1-yloxybutanimidamide
CID 24692067
N'-hydroxy-2-naphthalen-1-yloxybutanimidamide
CID 53869532
N'-hydroxy-3-naphthalen-1-yloxypropanimidamide
CID 54008865
4-[(4-chloro-1-methoxynaphthalen-2-yl)methyl]-3H-1,2,3,5-oxathiadiazole
CID 57275245

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide?
The IUPAC name of 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide (CID 43804670) is 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide?
The InChIKey is WQBQSJNMKPZBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-10(9-15(17)18-19)20-14-8-7-13(16)11-5-3-4-6-12(11)14/h3-8,10,19H,2,9H2,1H3,(H2,17,18).
What are the key properties of 3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide?
3-(4-chloronaphthalen-1-yl)oxy-N'-hydroxypentanimidamide has a molecular weight of 292.77 g/mol, XLogP of 3.79, 5 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'-hydroxypentanimidamide is sourced from PubChem (CID 43804670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).