2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide

C14H12BrFN2 — CID 151008146

IUPAC2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(-c2cc(Br)ccc2F)cc1
InChIInChI=1S/C14H12BrFN2/c15-11-5-6-13(16)12(8-11)10-3-1-9(2-4-10)7-14(17)18/h1-6,8H,7H2,(H3,17,18)
InChIKeyLVNGBQWBBGJVIZ-UHFFFAOYSA-N
MW307.17 g/mol
LogP3.73
Rot. Bonds3

About 2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide

2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide (PubChem CID 151008146) has the molecular formula C14H12BrFN2 and a molecular weight of 307.17 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide
PubChem CID151008146
Molecular FormulaC14H12BrFN2
Molecular Weight307.17 g/mol
Exact Mass306.02
IUPAC Name2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(-c2cc(Br)ccc2F)cc1
InChIInChI=1S/C14H12BrFN2/c15-11-5-6-13(16)12(8-11)10-3-1-9(2-4-10)7-14(17)18/h1-6,8H,7H2,(H3,17,18)
InChIKeyLVNGBQWBBGJVIZ-UHFFFAOYSA-N
XLogP3.73
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide?
The IUPAC name of 2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide (CID 151008146) is 2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide?
The canonical SMILES for 2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide is [H]/N=C(\N)Cc1ccc(-c2cc(Br)ccc2F)cc1.
What is the InChIKey of 2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide?
The InChIKey is LVNGBQWBBGJVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2/c15-11-5-6-13(16)12(8-11)10-3-1-9(2-4-10)7-14(17)18/h1-6,8H,7H2,(H3,17,18).
What are the key properties of 2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide?
2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide has a molecular weight of 307.17 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-fluorophenyl)phenyl]ethanimidamide is sourced from PubChem (CID 151008146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).