1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine

C13H8BrClFN — CID 1278798

IUPAC1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C13H8BrClFN/c14-10-3-1-2-9(6-10)8-17-11-4-5-13(16)12(15)7-11/h1-8H/b17-8+
InChIKeyQQXMPVRBKRVOIF-CAOOACKPSA-N
MW312.57 g/mol
LogP4.99
Rot. Bonds2

About 1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine

1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine (PubChem CID 1278798) has the molecular formula C13H8BrClFN and a molecular weight of 312.57 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine
PubChem CID1278798
Molecular FormulaC13H8BrClFN
Molecular Weight312.57 g/mol
Exact Mass310.95
IUPAC Name1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C13H8BrClFN/c14-10-3-1-2-9(6-10)8-17-11-4-5-13(16)12(15)7-11/h1-8H/b17-8+
InChIKeyQQXMPVRBKRVOIF-CAOOACKPSA-N
XLogP4.99
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 ≤ 54.99
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 1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine?
The IUPAC name of 1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine (CID 1278798) is 1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine?
The canonical SMILES for 1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine is Fc1ccc(/N=C/c2cccc(Br)c2)cc1Cl.
What is the InChIKey of 1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine?
The InChIKey is QQXMPVRBKRVOIF-CAOOACKPSA-N. The full InChI is InChI=1S/C13H8BrClFN/c14-10-3-1-2-9(6-10)8-17-11-4-5-13(16)12(15)7-11/h1-8H/b17-8+.
What are the key properties of 1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine?
1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine has a molecular weight of 312.57 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(3-chloro-4-fluorophenyl)methanimine is sourced from PubChem (CID 1278798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).