3-(4-chloronaphthalen-1-yl)oxypentanimidamide

C15H17ClN2O — CID 43804679

IUPAC3-(4-chloronaphthalen-1-yl)oxypentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H17ClN2O/c1-2-10(9-15(17)18)19-14-8-7-13(16)11-5-3-4-6-12(11)14/h3-8,10H,2,9H2,1H3,(H3,17,18)
InChIKeyXBMRSVXCMUZWAH-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.98
Rot. Bonds5

About 3-(4-chloronaphthalen-1-yl)oxypentanimidamide

3-(4-chloronaphthalen-1-yl)oxypentanimidamide (PubChem CID 43804679) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-(4-chloronaphthalen-1-yl)oxypentanimidamide.

Molecular Properties

Compound Name3-(4-chloronaphthalen-1-yl)oxypentanimidamide
PubChem CID43804679
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name3-(4-chloronaphthalen-1-yl)oxypentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H17ClN2O/c1-2-10(9-15(17)18)19-14-8-7-13(16)11-5-3-4-6-12(11)14/h3-8,10H,2,9H2,1H3,(H3,17,18)
InChIKeyXBMRSVXCMUZWAH-UHFFFAOYSA-N
XLogP3.98
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-(4-chloronaphthalen-1-yl)oxypentanimidamide?
The IUPAC name of 3-(4-chloronaphthalen-1-yl)oxypentanimidamide (CID 43804679) is 3-(4-chloronaphthalen-1-yl)oxypentanimidamide.
What is the SMILES notation for 3-(4-chloronaphthalen-1-yl)oxypentanimidamide?
The canonical SMILES for 3-(4-chloronaphthalen-1-yl)oxypentanimidamide is [H]/N=C(\N)CC(CC)Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of 3-(4-chloronaphthalen-1-yl)oxypentanimidamide?
The InChIKey is XBMRSVXCMUZWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-2-10(9-15(17)18)19-14-8-7-13(16)11-5-3-4-6-12(11)14/h3-8,10H,2,9H2,1H3,(H3,17,18).
What are the key properties of 3-(4-chloronaphthalen-1-yl)oxypentanimidamide?
3-(4-chloronaphthalen-1-yl)oxypentanimidamide has a molecular weight of 276.77 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloronaphthalen-1-yl)oxypentanimidamide is sourced from PubChem (CID 43804679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).