4-(4-chloronaphthalen-1-yl)oxybutanimidamide

C14H15ClN2O — CID 43804678

IUPAC4-(4-chloronaphthalen-1-yl)oxybutanimidamide
SMILES[H]/N=C(\N)CCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H15ClN2O/c15-12-7-8-13(18-9-3-6-14(16)17)11-5-2-1-4-10(11)12/h1-2,4-5,7-8H,3,6,9H2,(H3,16,17)
InChIKeyBOJCCYALAPEDNR-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.59
Rot. Bonds5

About 4-(4-chloronaphthalen-1-yl)oxybutanimidamide

4-(4-chloronaphthalen-1-yl)oxybutanimidamide (PubChem CID 43804678) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-(4-chloronaphthalen-1-yl)oxybutanimidamide.

Molecular Properties

Compound Name4-(4-chloronaphthalen-1-yl)oxybutanimidamide
PubChem CID43804678
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-(4-chloronaphthalen-1-yl)oxybutanimidamide
SMILES[H]/N=C(\N)CCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H15ClN2O/c15-12-7-8-13(18-9-3-6-14(16)17)11-5-2-1-4-10(11)12/h1-2,4-5,7-8H,3,6,9H2,(H3,16,17)
InChIKeyBOJCCYALAPEDNR-UHFFFAOYSA-N
XLogP3.59
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloronaphthalen-1-yl)oxybutanimidamide?
The IUPAC name of 4-(4-chloronaphthalen-1-yl)oxybutanimidamide (CID 43804678) is 4-(4-chloronaphthalen-1-yl)oxybutanimidamide.
What is the SMILES notation for 4-(4-chloronaphthalen-1-yl)oxybutanimidamide?
The canonical SMILES for 4-(4-chloronaphthalen-1-yl)oxybutanimidamide is [H]/N=C(\N)CCCOc1ccc(Cl)c2ccccc12.
What is the InChIKey of 4-(4-chloronaphthalen-1-yl)oxybutanimidamide?
The InChIKey is BOJCCYALAPEDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-7-8-13(18-9-3-6-14(16)17)11-5-2-1-4-10(11)12/h1-2,4-5,7-8H,3,6,9H2,(H3,16,17).
What are the key properties of 4-(4-chloronaphthalen-1-yl)oxybutanimidamide?
4-(4-chloronaphthalen-1-yl)oxybutanimidamide has a molecular weight of 262.74 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloronaphthalen-1-yl)oxybutanimidamide is sourced from PubChem (CID 43804678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).