2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide

C9H8Br2FNO — CID 107591747

IUPAC2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CBr
InChIInChI=1S/C9H8Br2FNO/c1-5-2-7(12)6(11)3-8(5)13-9(14)4-10/h2-3H,4H2,1H3,(H,13,14)
InChIKeyFZMTVESAHLHHFO-UHFFFAOYSA-N
MW324.98 g/mol
LogP3.23
Rot. Bonds2

About 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide

2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide (PubChem CID 107591747) has the molecular formula C9H8Br2FNO and a molecular weight of 324.98 g/mol. Its IUPAC name is 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
PubChem CID107591747
Molecular FormulaC9H8Br2FNO
Molecular Weight324.98 g/mol
Exact Mass322.90
IUPAC Name2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CBr
InChIInChI=1S/C9H8Br2FNO/c1-5-2-7(12)6(11)3-8(5)13-9(14)4-10/h2-3H,4H2,1H3,(H,13,14)
InChIKeyFZMTVESAHLHHFO-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.98
LogP ≤ 53.23
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

N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
2-bromo-N-(4-bromo-2,5-difluorophenyl)acetamide
CID 107610790
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
CID 107591745
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide
CID 107592531
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 103274575
3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea
CID 103269164
N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 103274665
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
CID 103274772
ethyl 2-(5-bromo-4-fluoro-2-methylanilino)-2-oxoacetate
CID 107593469

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide (CID 107591747) is 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide is Cc1cc(F)c(Br)cc1NC(=O)CBr.
What is the InChIKey of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide?
The InChIKey is FZMTVESAHLHHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2FNO/c1-5-2-7(12)6(11)3-8(5)13-9(14)4-10/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide?
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide has a molecular weight of 324.98 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 107591747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).