4-bromo-N'-butyl-2-fluorobenzenecarboximidamide

C11H14BrFN2 — CID 123861106

IUPAC4-bromo-N'-butyl-2-fluorobenzenecarboximidamide
SMILESCCCC/N=C(\N)c1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFN2/c1-2-3-6-15-11(14)9-5-4-8(12)7-10(9)13/h4-5,7H,2-3,6H2,1H3,(H2,14,15)
InChIKeyRWVAILGUFOGLEH-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.09
Rot. Bonds4

About 4-bromo-N'-butyl-2-fluorobenzenecarboximidamide

4-bromo-N'-butyl-2-fluorobenzenecarboximidamide (PubChem CID 123861106) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 4-bromo-N'-butyl-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-butyl-2-fluorobenzenecarboximidamide
PubChem CID123861106
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name4-bromo-N'-butyl-2-fluorobenzenecarboximidamide
SMILESCCCC/N=C(\N)c1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFN2/c1-2-3-6-15-11(14)9-5-4-8(12)7-10(9)13/h4-5,7H,2-3,6H2,1H3,(H2,14,15)
InChIKeyRWVAILGUFOGLEH-UHFFFAOYSA-N
XLogP3.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-bromo-N'-butyl-2-fluorobenzenecarboximidamide?
The IUPAC name of 4-bromo-N'-butyl-2-fluorobenzenecarboximidamide (CID 123861106) is 4-bromo-N'-butyl-2-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-butyl-2-fluorobenzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-butyl-2-fluorobenzenecarboximidamide is CCCC/N=C(\N)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N'-butyl-2-fluorobenzenecarboximidamide?
The InChIKey is RWVAILGUFOGLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c1-2-3-6-15-11(14)9-5-4-8(12)7-10(9)13/h4-5,7H,2-3,6H2,1H3,(H2,14,15).
What are the key properties of 4-bromo-N'-butyl-2-fluorobenzenecarboximidamide?
4-bromo-N'-butyl-2-fluorobenzenecarboximidamide has a molecular weight of 273.15 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-butyl-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 123861106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).