N-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride

C13H8BrClFN — CID 86241240

IUPACN-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride
SMILESFc1ccccc1/C(Cl)=N/c1ccc(Br)cc1
InChIInChI=1S/C13H8BrClFN/c14-9-5-7-10(8-6-9)17-13(15)11-3-1-2-4-12(11)16/h1-8H/b17-13-
InChIKeyZKSZWLWWZFXMCQ-LGMDPLHJSA-N
MW312.57 g/mol
LogP4.91
Rot. Bonds2

About N-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride

N-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride (PubChem CID 86241240) has the molecular formula C13H8BrClFN and a molecular weight of 312.57 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride
PubChem CID86241240
Molecular FormulaC13H8BrClFN
Molecular Weight312.57 g/mol
Exact Mass310.95
IUPAC NameN-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride
SMILESFc1ccccc1/C(Cl)=N/c1ccc(Br)cc1
InChIInChI=1S/C13H8BrClFN/c14-9-5-7-10(8-6-9)17-13(15)11-3-1-2-4-12(11)16/h1-8H/b17-13-
InChIKeyZKSZWLWWZFXMCQ-LGMDPLHJSA-N
XLogP4.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.57
LogP ≤ 54.91
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-Benzylidene-4-bromoaniline
CID 262176
N-(4-Bromo-phenyl)-benzamidine
CID 2838838
N-Phenylbenzimidoyl chloride
CID 264587
4-Bromo-N-(4-chlorobenzylidene)aniline
CID 525681
4-bromo-N-[(E)-(2-chlorophenyl)methylidene]aniline
CID 690146
p-Methylbenzylidene-(4-bromophenyl)-amine
CID 525717
p-Bromobenzylidene-(4-bromophenyl)-amine
CID 525659
Benzoyl chloride, (p-bromophenyl)hydrazone
CID 9570581
N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
CID 2797496
N-[(4-Bromophenyl)methylene]-4-fluorobenzenamine
CID 904271
N-(4-Bromophenyl)benzenecarbohydrazonoyl chloride
CID 38913
4-Bromo-N-(4-fluorobenzylidene)-aniline
CID 961544

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride?
The IUPAC name of N-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride (CID 86241240) is N-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride.
What is the SMILES notation for N-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride?
The canonical SMILES for N-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride is Fc1ccccc1/C(Cl)=N/c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride?
The InChIKey is ZKSZWLWWZFXMCQ-LGMDPLHJSA-N. The full InChI is InChI=1S/C13H8BrClFN/c14-9-5-7-10(8-6-9)17-13(15)11-3-1-2-4-12(11)16/h1-8H/b17-13-.
What are the key properties of N-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride?
N-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride has a molecular weight of 312.57 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-fluorobenzenecarboximidoyl chloride is sourced from PubChem (CID 86241240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).