N-bromo-N-(2-fluorophenyl)acetamide

C8H7BrFNO — CID 131853313

IUPACN-bromo-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(Br)c1ccccc1F
InChIInChI=1S/C8H7BrFNO/c1-6(12)11(9)8-5-3-2-4-7(8)10/h2-5H,1H3
InChIKeyJAMIMICQEWFUGJ-UHFFFAOYSA-N
MW232.05 g/mol
LogP2.49
Rot. Bonds1

About N-bromo-N-(2-fluorophenyl)acetamide

N-bromo-N-(2-fluorophenyl)acetamide (PubChem CID 131853313) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is N-bromo-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-bromo-N-(2-fluorophenyl)acetamide
PubChem CID131853313
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC NameN-bromo-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(Br)c1ccccc1F
InChIInChI=1S/C8H7BrFNO/c1-6(12)11(9)8-5-3-2-4-7(8)10/h2-5H,1H3
InChIKeyJAMIMICQEWFUGJ-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-bromo-N-(2-fluorophenyl)acetamide?
The IUPAC name of N-bromo-N-(2-fluorophenyl)acetamide (CID 131853313) is N-bromo-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-bromo-N-(2-fluorophenyl)acetamide?
The canonical SMILES for N-bromo-N-(2-fluorophenyl)acetamide is CC(=O)N(Br)c1ccccc1F.
What is the InChIKey of N-bromo-N-(2-fluorophenyl)acetamide?
The InChIKey is JAMIMICQEWFUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO/c1-6(12)11(9)8-5-3-2-4-7(8)10/h2-5H,1H3.
What are the key properties of N-bromo-N-(2-fluorophenyl)acetamide?
N-bromo-N-(2-fluorophenyl)acetamide has a molecular weight of 232.05 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 131853313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).