2-(5-bromo-2-fluorophenyl)-2-chloroacetamide

C8H6BrClFNO — CID 62226242

IUPAC2-(5-bromo-2-fluorophenyl)-2-chloroacetamide
SMILESNC(=O)C(Cl)c1cc(Br)ccc1F
InChIInChI=1S/C8H6BrClFNO/c9-4-1-2-6(11)5(3-4)7(10)8(12)13/h1-3,7H,(H2,12,13)
InChIKeyFXLXGDSJVWRHHI-UHFFFAOYSA-N
MW266.50 g/mol
LogP2.35
Rot. Bonds2

About 2-(5-bromo-2-fluorophenyl)-2-chloroacetamide

2-(5-bromo-2-fluorophenyl)-2-chloroacetamide (PubChem CID 62226242) has the molecular formula C8H6BrClFNO and a molecular weight of 266.50 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-chloroacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-chloroacetamide
PubChem CID62226242
Molecular FormulaC8H6BrClFNO
Molecular Weight266.50 g/mol
Exact Mass264.93
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-chloroacetamide
SMILESNC(=O)C(Cl)c1cc(Br)ccc1F
InChIInChI=1S/C8H6BrClFNO/c9-4-1-2-6(11)5(3-4)7(10)8(12)13/h1-3,7H,(H2,12,13)
InChIKeyFXLXGDSJVWRHHI-UHFFFAOYSA-N
XLogP2.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid
CID 79743413
2-(5-bromo-2-fluorophenyl)-2-(4-fluoroanilino)acetamide
CID 61004958
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide
CID 62225718
2-(4-bromo-2-fluorophenyl)-2-hydroxyacetamide
CID 62225649
methyl 2-bromo-2-(5-bromo-2-fluorophenyl)acetate
CID 172613347
methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434
methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 62213936
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
2-(5-bromo-2-fluorophenyl)-4-methylpentan-3-one
CID 82974010
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoic acid;hydrochloride
CID 162344141

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-chloroacetamide?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-chloroacetamide (CID 62226242) is 2-(5-bromo-2-fluorophenyl)-2-chloroacetamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-chloroacetamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-chloroacetamide is NC(=O)C(Cl)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-chloroacetamide?
The InChIKey is FXLXGDSJVWRHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClFNO/c9-4-1-2-6(11)5(3-4)7(10)8(12)13/h1-3,7H,(H2,12,13).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-chloroacetamide?
2-(5-bromo-2-fluorophenyl)-2-chloroacetamide has a molecular weight of 266.50 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-2-chloroacetamide is sourced from PubChem (CID 62226242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).