N-(4-fluorophenyl)benzenecarboximidoyl chloride

C13H9ClFN — CID 12935376

IUPACN-(4-fluorophenyl)benzenecarboximidoyl chloride
SMILESFc1ccc(/N=C(\Cl)c2ccccc2)cc1
InChIInChI=1S/C13H9ClFN/c14-13(10-4-2-1-3-5-10)16-12-8-6-11(15)7-9-12/h1-9H/b16-13-
InChIKeyGZJCMSJRINGLCQ-SSZFMOIBSA-N
MW233.67 g/mol
LogP4.14
Rot. Bonds2

About N-(4-fluorophenyl)benzenecarboximidoyl chloride

N-(4-fluorophenyl)benzenecarboximidoyl chloride (PubChem CID 12935376) has the molecular formula C13H9ClFN and a molecular weight of 233.67 g/mol. Its IUPAC name is N-(4-fluorophenyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-(4-fluorophenyl)benzenecarboximidoyl chloride
PubChem CID12935376
Molecular FormulaC13H9ClFN
Molecular Weight233.67 g/mol
Exact Mass233.04
IUPAC NameN-(4-fluorophenyl)benzenecarboximidoyl chloride
SMILESFc1ccc(/N=C(\Cl)c2ccccc2)cc1
InChIInChI=1S/C13H9ClFN/c14-13(10-4-2-1-3-5-10)16-12-8-6-11(15)7-9-12/h1-9H/b16-13-
InChIKeyGZJCMSJRINGLCQ-SSZFMOIBSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 54.14
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-(4-fluorophenyl)benzenecarboximidoyl chloride?
The IUPAC name of N-(4-fluorophenyl)benzenecarboximidoyl chloride (CID 12935376) is N-(4-fluorophenyl)benzenecarboximidoyl chloride.
What is the SMILES notation for N-(4-fluorophenyl)benzenecarboximidoyl chloride?
The canonical SMILES for N-(4-fluorophenyl)benzenecarboximidoyl chloride is Fc1ccc(/N=C(\Cl)c2ccccc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)benzenecarboximidoyl chloride?
The InChIKey is GZJCMSJRINGLCQ-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H9ClFN/c14-13(10-4-2-1-3-5-10)16-12-8-6-11(15)7-9-12/h1-9H/b16-13-.
What are the key properties of N-(4-fluorophenyl)benzenecarboximidoyl chloride?
N-(4-fluorophenyl)benzenecarboximidoyl chloride has a molecular weight of 233.67 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 12935376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).