2-bromo-3-(3-fluorophenyl)propanamide

C9H9BrFNO — CID 104512961

IUPAC2-bromo-3-(3-fluorophenyl)propanamide
SMILESNC(=O)C(Br)Cc1cccc(F)c1
InChIInChI=1S/C9H9BrFNO/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8H,5H2,(H2,12,13)
InChIKeyZTJGCINMTBLLBF-UHFFFAOYSA-N
MW246.08 g/mol
LogP1.62
Rot. Bonds3

About 2-bromo-3-(3-fluorophenyl)propanamide

2-bromo-3-(3-fluorophenyl)propanamide (PubChem CID 104512961) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 2-bromo-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-3-(3-fluorophenyl)propanamide
PubChem CID104512961
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name2-bromo-3-(3-fluorophenyl)propanamide
SMILESNC(=O)C(Br)Cc1cccc(F)c1
InChIInChI=1S/C9H9BrFNO/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8H,5H2,(H2,12,13)
InChIKeyZTJGCINMTBLLBF-UHFFFAOYSA-N
XLogP1.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-3-(3-fluorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-3-(3-fluorophenyl)propanamide
CID 102314592
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
2-bromo-3-phenylpropanamide
CID 22238787
(2S)-2-bromo-3-phenylpropanamide
CID 71482600
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042
(3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one
CID 139542071
disodium;2-[(3-fluorophenyl)methyl]propanedioic acid;hydride
CID 174597525
(Z,2S)-2-amino-1-(3-fluorophenyl)-4-methylhex-4-en-3-one;ethane;molecular hydrogen
CID 177211939
2-bromo-3-(2,4-difluorophenyl)propanamide
CID 104512951
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
1-(2-benzyl-3-bromopropyl)-3-fluorobenzene
CID 66047635

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(3-fluorophenyl)propanamide?
The IUPAC name of 2-bromo-3-(3-fluorophenyl)propanamide (CID 104512961) is 2-bromo-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for 2-bromo-3-(3-fluorophenyl)propanamide?
The canonical SMILES for 2-bromo-3-(3-fluorophenyl)propanamide is NC(=O)C(Br)Cc1cccc(F)c1.
What is the InChIKey of 2-bromo-3-(3-fluorophenyl)propanamide?
The InChIKey is ZTJGCINMTBLLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8H,5H2,(H2,12,13).
What are the key properties of 2-bromo-3-(3-fluorophenyl)propanamide?
2-bromo-3-(3-fluorophenyl)propanamide has a molecular weight of 246.08 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 104512961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).