N-naphthalen-1-ylbenzenecarboximidoyl chloride

C17H12ClN — CID 15620195

IUPACN-naphthalen-1-ylbenzenecarboximidoyl chloride
SMILESCl/C(=N\c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C17H12ClN/c18-17(14-8-2-1-3-9-14)19-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H/b19-17-
InChIKeyGMTIMDFVINTJDH-ZPHPHTNESA-N
MW265.74 g/mol
LogP5.16
Rot. Bonds2

About N-naphthalen-1-ylbenzenecarboximidoyl chloride

N-naphthalen-1-ylbenzenecarboximidoyl chloride (PubChem CID 15620195) has the molecular formula C17H12ClN and a molecular weight of 265.74 g/mol. Its IUPAC name is N-naphthalen-1-ylbenzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-naphthalen-1-ylbenzenecarboximidoyl chloride
PubChem CID15620195
Molecular FormulaC17H12ClN
Molecular Weight265.74 g/mol
Exact Mass265.07
IUPAC NameN-naphthalen-1-ylbenzenecarboximidoyl chloride
SMILESCl/C(=N\c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C17H12ClN/c18-17(14-8-2-1-3-9-14)19-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H/b19-17-
InChIKeyGMTIMDFVINTJDH-ZPHPHTNESA-N
XLogP5.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.74
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-ylbenzenecarboximidoyl chloride?
The IUPAC name of N-naphthalen-1-ylbenzenecarboximidoyl chloride (CID 15620195) is N-naphthalen-1-ylbenzenecarboximidoyl chloride.
What is the SMILES notation for N-naphthalen-1-ylbenzenecarboximidoyl chloride?
The canonical SMILES for N-naphthalen-1-ylbenzenecarboximidoyl chloride is Cl/C(=N\c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-naphthalen-1-ylbenzenecarboximidoyl chloride?
The InChIKey is GMTIMDFVINTJDH-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H12ClN/c18-17(14-8-2-1-3-9-14)19-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H/b19-17-.
What are the key properties of N-naphthalen-1-ylbenzenecarboximidoyl chloride?
N-naphthalen-1-ylbenzenecarboximidoyl chloride has a molecular weight of 265.74 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-ylbenzenecarboximidoyl chloride is sourced from PubChem (CID 15620195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).