2-bromo-3-(5-fluoro-2-methylphenyl)propanamide

C10H11BrFNO — CID 104512974

IUPAC2-bromo-3-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1CC(Br)C(N)=O
InChIInChI=1S/C10H11BrFNO/c1-6-2-3-8(12)4-7(6)5-9(11)10(13)14/h2-4,9H,5H2,1H3,(H2,13,14)
InChIKeyXYHCRZKJJIGLSB-UHFFFAOYSA-N
MW260.11 g/mol
LogP1.93
Rot. Bonds3

About 2-bromo-3-(5-fluoro-2-methylphenyl)propanamide

2-bromo-3-(5-fluoro-2-methylphenyl)propanamide (PubChem CID 104512974) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-bromo-3-(5-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-bromo-3-(5-fluoro-2-methylphenyl)propanamide
PubChem CID104512974
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name2-bromo-3-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1CC(Br)C(N)=O
InChIInChI=1S/C10H11BrFNO/c1-6-2-3-8(12)4-7(6)5-9(11)10(13)14/h2-4,9H,5H2,1H3,(H2,13,14)
InChIKeyXYHCRZKJJIGLSB-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 51.93
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

2-bromo-3-(2,4-difluorophenyl)propanamide
CID 104512951
methyl 2-(3-amino-2-bromo-3-oxopropyl)-5-fluorobenzoate
CID 112547272
2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid
CID 105372500
3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide
CID 106171518
2-bromo-3-(4-fluoro-2-nitrophenyl)propanamide
CID 104513119
2-bromo-1-(4-fluoro-2-methylphenyl)-4-methylpentan-3-one
CID 62393913
2-bromo-3-(4-fluorophenyl)propanamide
CID 75480645
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
2-(3-bromo-2-ethylbutyl)-4-fluoro-1-methylbenzene
CID 105374724
2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375163
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(5-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 2-bromo-3-(5-fluoro-2-methylphenyl)propanamide (CID 104512974) is 2-bromo-3-(5-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 2-bromo-3-(5-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 2-bromo-3-(5-fluoro-2-methylphenyl)propanamide is Cc1ccc(F)cc1CC(Br)C(N)=O.
What is the InChIKey of 2-bromo-3-(5-fluoro-2-methylphenyl)propanamide?
The InChIKey is XYHCRZKJJIGLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-6-2-3-8(12)4-7(6)5-9(11)10(13)14/h2-4,9H,5H2,1H3,(H2,13,14).
What are the key properties of 2-bromo-3-(5-fluoro-2-methylphenyl)propanamide?
2-bromo-3-(5-fluoro-2-methylphenyl)propanamide has a molecular weight of 260.11 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(5-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 104512974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).