N-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine

C20H15BrFN — CID 67363878

IUPACN-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine
SMILESFc1ccc(/C=N/C(c2ccccc2)c2ccccc2)c(Br)c1
InChIInChI=1S/C20H15BrFN/c21-19-13-18(22)12-11-17(19)14-23-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H/b23-14+
InChIKeySADJHHQFBCVPMZ-OEAKJJBVSA-N
MW368.25 g/mol
LogP5.80
Rot. Bonds4

About N-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine

N-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine (PubChem CID 67363878) has the molecular formula C20H15BrFN and a molecular weight of 368.25 g/mol. Its IUPAC name is N-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine
PubChem CID67363878
Molecular FormulaC20H15BrFN
Molecular Weight368.25 g/mol
Exact Mass367.04
IUPAC NameN-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine
SMILESFc1ccc(/C=N/C(c2ccccc2)c2ccccc2)c(Br)c1
InChIInChI=1S/C20H15BrFN/c21-19-13-18(22)12-11-17(19)14-23-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H/b23-14+
InChIKeySADJHHQFBCVPMZ-OEAKJJBVSA-N
XLogP5.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.25
LogP ≤ 55.80
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-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine?
The IUPAC name of N-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine (CID 67363878) is N-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine.
What is the SMILES notation for N-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine?
The canonical SMILES for N-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine is Fc1ccc(/C=N/C(c2ccccc2)c2ccccc2)c(Br)c1.
What is the InChIKey of N-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine?
The InChIKey is SADJHHQFBCVPMZ-OEAKJJBVSA-N. The full InChI is InChI=1S/C20H15BrFN/c21-19-13-18(22)12-11-17(19)14-23-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H/b23-14+.
What are the key properties of N-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine?
N-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine has a molecular weight of 368.25 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine is sourced from PubChem (CID 67363878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).