2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide

C10H11BrFNO — CID 155100344

IUPAC2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide
SMILESCc1cc(F)cc(C)c1NC(=O)CBr
InChIInChI=1S/C10H11BrFNO/c1-6-3-8(12)4-7(2)10(6)13-9(14)5-11/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeySYWLEFBNNFAAIU-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.78
Rot. Bonds2

About 2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide

2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide (PubChem CID 155100344) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide
PubChem CID155100344
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide
SMILESCc1cc(F)cc(C)c1NC(=O)CBr
InChIInChI=1S/C10H11BrFNO/c1-6-3-8(12)4-7(2)10(6)13-9(14)5-11/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeySYWLEFBNNFAAIU-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.78
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 2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide (CID 155100344) is 2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide is Cc1cc(F)cc(C)c1NC(=O)CBr.
What is the InChIKey of 2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide?
The InChIKey is SYWLEFBNNFAAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-6-3-8(12)4-7(2)10(6)13-9(14)5-11/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide?
2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide has a molecular weight of 260.11 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 155100344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).