N-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide

C11H14BrFN2 — CID 154967866

IUPACN-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide
SMILESC/C(=N\C(C)C)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFN2/c1-7(2)14-8(3)15-11-5-4-9(12)6-10(11)13/h4-7H,1-3H3,(H,14,15)
InChIKeyJSFTZYOYCBXOSB-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.83
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide

N-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide (PubChem CID 154967866) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide
PubChem CID154967866
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide
SMILESC/C(=N\C(C)C)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFN2/c1-7(2)14-8(3)15-11-5-4-9(12)6-10(11)13/h4-7H,1-3H3,(H,14,15)
InChIKeyJSFTZYOYCBXOSB-UHFFFAOYSA-N
XLogP3.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.83
H-Bond Donors ≤ 51
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 N-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide (CID 154967866) is N-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide is C/C(=N\C(C)C)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide?
The InChIKey is JSFTZYOYCBXOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c1-7(2)14-8(3)15-11-5-4-9(12)6-10(11)13/h4-7H,1-3H3,(H,14,15).
What are the key properties of N-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide?
N-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide has a molecular weight of 273.15 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-N'-propan-2-ylethanimidamide is sourced from PubChem (CID 154967866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).