N-(3-bromo-2-fluorophenyl)-1-phenylmethanimine

C13H9BrFN — CID 169130471

IUPACN-(3-bromo-2-fluorophenyl)-1-phenylmethanimine
SMILESFc1c(Br)cccc1/N=C/c1ccccc1
InChIInChI=1S/C13H9BrFN/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-9H/b16-9+
InChIKeyLEXGXRZPACNKEY-CXUHLZMHSA-N
MW278.12 g/mol
LogP4.34
Rot. Bonds2

About N-(3-bromo-2-fluorophenyl)-1-phenylmethanimine

N-(3-bromo-2-fluorophenyl)-1-phenylmethanimine (PubChem CID 169130471) has the molecular formula C13H9BrFN and a molecular weight of 278.12 g/mol. Its IUPAC name is N-(3-bromo-2-fluorophenyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(3-bromo-2-fluorophenyl)-1-phenylmethanimine
PubChem CID169130471
Molecular FormulaC13H9BrFN
Molecular Weight278.12 g/mol
Exact Mass276.99
IUPAC NameN-(3-bromo-2-fluorophenyl)-1-phenylmethanimine
SMILESFc1c(Br)cccc1/N=C/c1ccccc1
InChIInChI=1S/C13H9BrFN/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-9H/b16-9+
InChIKeyLEXGXRZPACNKEY-CXUHLZMHSA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 54.34
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

1-phenyl-N-[2-(trifluoromethyl)phenyl]methanimine
CID 15195578
N-naphthalen-1-yl-1-[4-(naphthalen-1-yliminomethyl)phenyl]methanimine
CID 3811018
N-(2-fluorophenyl)-1-(4-fluorophenyl)methanimine
CID 23329235
1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine
CID 102515633
N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine
CID 23329288
N,1-diphenylmethanimine
CID 10858
4-[(2-fluorophenyl)iminomethyl]-N,N-diphenylaniline
CID 23851446
2-[(4-fluorophenyl)methylideneamino]aniline
CID 21236289
N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
CID 139103390
N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
CID 10995682
N-(2-cyclopropylphenyl)-1-phenylmethanimine
CID 5185727
4,6-bis(benzylideneamino)benzene-1,3-diol
CID 58816982

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-fluorophenyl)-1-phenylmethanimine?
The IUPAC name of N-(3-bromo-2-fluorophenyl)-1-phenylmethanimine (CID 169130471) is N-(3-bromo-2-fluorophenyl)-1-phenylmethanimine.
What is the SMILES notation for N-(3-bromo-2-fluorophenyl)-1-phenylmethanimine?
The canonical SMILES for N-(3-bromo-2-fluorophenyl)-1-phenylmethanimine is Fc1c(Br)cccc1/N=C/c1ccccc1.
What is the InChIKey of N-(3-bromo-2-fluorophenyl)-1-phenylmethanimine?
The InChIKey is LEXGXRZPACNKEY-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H9BrFN/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-9H/b16-9+.
What are the key properties of N-(3-bromo-2-fluorophenyl)-1-phenylmethanimine?
N-(3-bromo-2-fluorophenyl)-1-phenylmethanimine has a molecular weight of 278.12 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-fluorophenyl)-1-phenylmethanimine is sourced from PubChem (CID 169130471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).