4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide

C10H9BrFNO2 — CID 164571859

IUPAC4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(C(=O)CBr)c(F)c1
InChIInChI=1S/C10H9BrFNO2/c1-13-10(15)6-2-3-7(8(12)4-6)9(14)5-11/h2-4H,5H2,1H3,(H,13,15)
InChIKeyUMDIUDXSKXLUIK-UHFFFAOYSA-N
MW274.09 g/mol
LogP1.76
Rot. Bonds3

About 4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide

4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide (PubChem CID 164571859) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is 4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide
PubChem CID164571859
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC Name4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(C(=O)CBr)c(F)c1
InChIInChI=1S/C10H9BrFNO2/c1-13-10(15)6-2-3-7(8(12)4-6)9(14)5-11/h2-4H,5H2,1H3,(H,13,15)
InChIKeyUMDIUDXSKXLUIK-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetyl-3-fluorophenyl)-2-bromoethanone
CID 19853167
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
CID 167532226
CID 167532226
2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443
2-bromo-1-(2-fluoro-4-methylsulfonylphenyl)ethanone
CID 11173933
3-fluoro-N-methyl-4-methylsulfanylbenzamide
CID 149067923
2-bromo-1-(2,3-difluoro-5-methylphenyl)ethanone
CID 118838056
3-fluoro-4-formyl-N-methylbenzamide
CID 131572088
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid
CID 86683687
4-[[(E)-but-2-enyl]amino]-3-fluoro-N-methylbenzamide;ethane
CID 178011522
3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
CID 59156732

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide?
The IUPAC name of 4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide (CID 164571859) is 4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide?
The canonical SMILES for 4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide is CNC(=O)c1ccc(C(=O)CBr)c(F)c1.
What is the InChIKey of 4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide?
The InChIKey is UMDIUDXSKXLUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c1-13-10(15)6-2-3-7(8(12)4-6)9(14)5-11/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of 4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide?
4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide has a molecular weight of 274.09 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 164571859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).