N-naphthalen-1-ylpropanimidoyl chloride

C13H12ClN — CID 134896814

IUPACN-naphthalen-1-ylpropanimidoyl chloride
SMILESCC/C(Cl)=N/c1cccc2ccccc12
InChIInChI=1S/C13H12ClN/c1-2-13(14)15-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3/b15-13-
InChIKeySWWWCYQFBRHGMI-SQFISAMPSA-N
MW217.70 g/mol
LogP4.52
Rot. Bonds2

About N-naphthalen-1-ylpropanimidoyl chloride

N-naphthalen-1-ylpropanimidoyl chloride (PubChem CID 134896814) has the molecular formula C13H12ClN and a molecular weight of 217.70 g/mol. Its IUPAC name is N-naphthalen-1-ylpropanimidoyl chloride.

Molecular Properties

Compound NameN-naphthalen-1-ylpropanimidoyl chloride
PubChem CID134896814
Molecular FormulaC13H12ClN
Molecular Weight217.70 g/mol
Exact Mass217.07
IUPAC NameN-naphthalen-1-ylpropanimidoyl chloride
SMILESCC/C(Cl)=N/c1cccc2ccccc12
InChIInChI=1S/C13H12ClN/c1-2-13(14)15-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3/b15-13-
InChIKeySWWWCYQFBRHGMI-SQFISAMPSA-N
XLogP4.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-1-yl-4-phenylbutan-2-imine
CID 157374253
dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine
CID 20701769
iron(2+);1-[6-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)-2-pyridinyl]-N-naphthalen-1-ylethanimine;dichloride
CID 22482894
N'-naphthalen-1-yl-2-sulfanylethanimidamide
CID 90668652
CID 175078571
CID 175078571
2,2,2-trifluoro-N-naphthalen-1-ylethanimidoyl iodide
CID 139894364
ethyl 1-(ethyldisulfanyl)-N-naphthalen-1-ylmethanimidate
CID 21417986
2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride
CID 122233527
N-naphthalen-1-yliminomethanesulfonamide
CID 166448164
1-(2,6-dimethylphenyl)-N-naphthalen-1-ylmethanimine
CID 71530075
chloromethane;ethane;naphthalen-1-ol
CID 144848699
butane;naphthalen-1-ol
CID 142905950

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-ylpropanimidoyl chloride?
The IUPAC name of N-naphthalen-1-ylpropanimidoyl chloride (CID 134896814) is N-naphthalen-1-ylpropanimidoyl chloride.
What is the SMILES notation for N-naphthalen-1-ylpropanimidoyl chloride?
The canonical SMILES for N-naphthalen-1-ylpropanimidoyl chloride is CC/C(Cl)=N/c1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-ylpropanimidoyl chloride?
The InChIKey is SWWWCYQFBRHGMI-SQFISAMPSA-N. The full InChI is InChI=1S/C13H12ClN/c1-2-13(14)15-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3/b15-13-.
What are the key properties of N-naphthalen-1-ylpropanimidoyl chloride?
N-naphthalen-1-ylpropanimidoyl chloride has a molecular weight of 217.70 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-ylpropanimidoyl chloride is sourced from PubChem (CID 134896814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).