N-(2-bromo-4-fluorophenyl)-3-oxobutanamide

C10H9BrFNO2 — CID 28939516

IUPACN-(2-bromo-4-fluorophenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C10H9BrFNO2/c1-6(14)4-10(15)13-9-3-2-7(12)5-8(9)11/h2-3,5H,4H2,1H3,(H,13,15)
InChIKeyCDMRBCRVQMLWJV-UHFFFAOYSA-N
MW274.09 g/mol
LogP2.51
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-3-oxobutanamide

N-(2-bromo-4-fluorophenyl)-3-oxobutanamide (PubChem CID 28939516) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-3-oxobutanamide
PubChem CID28939516
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC NameN-(2-bromo-4-fluorophenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C10H9BrFNO2/c1-6(14)4-10(15)13-9-3-2-7(12)5-8(9)11/h2-3,5H,4H2,1H3,(H,13,15)
InChIKeyCDMRBCRVQMLWJV-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
5-(2-bromo-4-fluoroanilino)-5-oxopentanoic acid
CID 43529761
N-(2-bromo-4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide
CID 43134285
N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide
CID 43134331
(2-bromo-4-fluorophenyl)urea
CID 28939155
N-(2-bromo-4-fluorophenyl)-2-(2-fluorophenyl)acetamide
CID 28938688
2-anilino-N-(2-bromo-4-fluorophenyl)acetamide
CID 60860763
N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide
CID 47249027
2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide
CID 81317663
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
3-amino-N-(2-bromo-4-fluorophenyl)-2-methylpropanamide
CID 62670318

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-3-oxobutanamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-3-oxobutanamide (CID 28939516) is N-(2-bromo-4-fluorophenyl)-3-oxobutanamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-3-oxobutanamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-3-oxobutanamide is CC(=O)CC(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-3-oxobutanamide?
The InChIKey is CDMRBCRVQMLWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c1-6(14)4-10(15)13-9-3-2-7(12)5-8(9)11/h2-3,5H,4H2,1H3,(H,13,15).
What are the key properties of N-(2-bromo-4-fluorophenyl)-3-oxobutanamide?
N-(2-bromo-4-fluorophenyl)-3-oxobutanamide has a molecular weight of 274.09 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-3-oxobutanamide is sourced from PubChem (CID 28939516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).