N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide

C11H12BrClFNO2 — CID 58155286

IUPACN-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide
SMILESCC(CO)(NC(=O)CCl)c1cc(Br)ccc1F
InChIInChI=1S/C11H12BrClFNO2/c1-11(6-16,15-10(17)5-13)8-4-7(12)2-3-9(8)14/h2-4,16H,5-6H2,1H3,(H,15,17)
InChIKeyYVZDFKILPGVRPA-UHFFFAOYSA-N
MW324.58 g/mol
LogP2.15
Rot. Bonds4

About N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide

N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide (PubChem CID 58155286) has the molecular formula C11H12BrClFNO2 and a molecular weight of 324.58 g/mol. Its IUPAC name is N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide
PubChem CID58155286
Molecular FormulaC11H12BrClFNO2
Molecular Weight324.58 g/mol
Exact Mass322.97
IUPAC NameN-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide
SMILESCC(CO)(NC(=O)CCl)c1cc(Br)ccc1F
InChIInChI=1S/C11H12BrClFNO2/c1-11(6-16,15-10(17)5-13)8-4-7(12)2-3-9(8)14/h2-4,16H,5-6H2,1H3,(H,15,17)
InChIKeyYVZDFKILPGVRPA-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.58
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide?
The IUPAC name of N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide (CID 58155286) is N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide.
What is the SMILES notation for N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide?
The canonical SMILES for N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide is CC(CO)(NC(=O)CCl)c1cc(Br)ccc1F.
What is the InChIKey of N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide?
The InChIKey is YVZDFKILPGVRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO2/c1-11(6-16,15-10(17)5-13)8-4-7(12)2-3-9(8)14/h2-4,16H,5-6H2,1H3,(H,15,17).
What are the key properties of N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide?
N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide has a molecular weight of 324.58 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide is sourced from PubChem (CID 58155286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).