N-(4-bromo-2-fluorophenyl)-2-chloroacetamide

C8H6BrClFNO — CID 776665

IUPACN-(4-bromo-2-fluorophenyl)-2-chloroacetamide
SMILESO=C(CCl)Nc1ccc(Br)cc1F
InChIInChI=1S/C8H6BrClFNO/c9-5-1-2-7(6(11)3-5)12-8(13)4-10/h1-3H,4H2,(H,12,13)
InChIKeyCKJNGYRSKKRIRL-UHFFFAOYSA-N
MW266.50 g/mol
LogP2.77
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-2-chloroacetamide

N-(4-bromo-2-fluorophenyl)-2-chloroacetamide (PubChem CID 776665) has the molecular formula C8H6BrClFNO and a molecular weight of 266.50 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-chloroacetamide
PubChem CID776665
Molecular FormulaC8H6BrClFNO
Molecular Weight266.50 g/mol
Exact Mass264.93
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-chloroacetamide
SMILESO=C(CCl)Nc1ccc(Br)cc1F
InChIInChI=1S/C8H6BrClFNO/c9-5-1-2-7(6(11)3-5)12-8(13)4-10/h1-3H,4H2,(H,12,13)
InChIKeyCKJNGYRSKKRIRL-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4-bromo-2-fluorophenyl)-2-chloroacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-chloroacetamide (CID 776665) is N-(4-bromo-2-fluorophenyl)-2-chloroacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-chloroacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-chloroacetamide is O=C(CCl)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-chloroacetamide?
The InChIKey is CKJNGYRSKKRIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClFNO/c9-5-1-2-7(6(11)3-5)12-8(13)4-10/h1-3H,4H2,(H,12,13).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-chloroacetamide?
N-(4-bromo-2-fluorophenyl)-2-chloroacetamide has a molecular weight of 266.50 g/mol, XLogP of 2.77, 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)-2-chloroacetamide is sourced from PubChem (CID 776665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).