2-bromo-3-(2,4-difluorophenyl)propanamide

C9H8BrF2NO — CID 104512951

IUPAC2-bromo-3-(2,4-difluorophenyl)propanamide
SMILESNC(=O)C(Br)Cc1ccc(F)cc1F
InChIInChI=1S/C9H8BrF2NO/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12/h1-2,4,7H,3H2,(H2,13,14)
InChIKeyVHMBTRNYLHAWFB-UHFFFAOYSA-N
MW264.07 g/mol
LogP1.76
Rot. Bonds3

About 2-bromo-3-(2,4-difluorophenyl)propanamide

2-bromo-3-(2,4-difluorophenyl)propanamide (PubChem CID 104512951) has the molecular formula C9H8BrF2NO and a molecular weight of 264.07 g/mol. Its IUPAC name is 2-bromo-3-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-3-(2,4-difluorophenyl)propanamide
PubChem CID104512951
Molecular FormulaC9H8BrF2NO
Molecular Weight264.07 g/mol
Exact Mass262.98
IUPAC Name2-bromo-3-(2,4-difluorophenyl)propanamide
SMILESNC(=O)C(Br)Cc1ccc(F)cc1F
InChIInChI=1S/C9H8BrF2NO/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12/h1-2,4,7H,3H2,(H2,13,14)
InChIKeyVHMBTRNYLHAWFB-UHFFFAOYSA-N
XLogP1.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 51.76
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-(4-bromo-2-fluorophenyl)propanamide
CID 104513020
2-bromo-3-(5-fluoro-2-methylphenyl)propanamide
CID 104512974
2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide
CID 107608482
2-bromo-3-(4-fluoro-2-nitrophenyl)propanamide
CID 104513119
methyl 2-(3-amino-2-bromo-3-oxopropyl)-5-fluorobenzoate
CID 112547272
2-bromo-3-(4-fluorophenyl)propanamide
CID 75480645
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
2-bromo-3-(3-fluorophenyl)propanamide
CID 104512961
2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid
CID 23022300
2-bromo-1-(4-fluoro-2-methylphenyl)-4-methylpentan-3-one
CID 62393913
2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one
CID 130136876
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2,4-difluorophenyl)propanamide?
The IUPAC name of 2-bromo-3-(2,4-difluorophenyl)propanamide (CID 104512951) is 2-bromo-3-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-bromo-3-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 2-bromo-3-(2,4-difluorophenyl)propanamide is NC(=O)C(Br)Cc1ccc(F)cc1F.
What is the InChIKey of 2-bromo-3-(2,4-difluorophenyl)propanamide?
The InChIKey is VHMBTRNYLHAWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12/h1-2,4,7H,3H2,(H2,13,14).
What are the key properties of 2-bromo-3-(2,4-difluorophenyl)propanamide?
2-bromo-3-(2,4-difluorophenyl)propanamide has a molecular weight of 264.07 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 104512951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).