2-bromo-3-(4-bromo-2-fluorophenyl)propanamide

C9H8Br2FNO — CID 104513020

IUPAC2-bromo-3-(4-bromo-2-fluorophenyl)propanamide
SMILESNC(=O)C(Br)Cc1ccc(Br)cc1F
InChIInChI=1S/C9H8Br2FNO/c10-6-2-1-5(8(12)4-6)3-7(11)9(13)14/h1-2,4,7H,3H2,(H2,13,14)
InChIKeyZCGDROVFNVMLSV-UHFFFAOYSA-N
MW324.98 g/mol
LogP2.38
Rot. Bonds3

About 2-bromo-3-(4-bromo-2-fluorophenyl)propanamide

2-bromo-3-(4-bromo-2-fluorophenyl)propanamide (PubChem CID 104513020) has the molecular formula C9H8Br2FNO and a molecular weight of 324.98 g/mol. Its IUPAC name is 2-bromo-3-(4-bromo-2-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-3-(4-bromo-2-fluorophenyl)propanamide
PubChem CID104513020
Molecular FormulaC9H8Br2FNO
Molecular Weight324.98 g/mol
Exact Mass322.90
IUPAC Name2-bromo-3-(4-bromo-2-fluorophenyl)propanamide
SMILESNC(=O)C(Br)Cc1ccc(Br)cc1F
InChIInChI=1S/C9H8Br2FNO/c10-6-2-1-5(8(12)4-6)3-7(11)9(13)14/h1-2,4,7H,3H2,(H2,13,14)
InChIKeyZCGDROVFNVMLSV-UHFFFAOYSA-N
XLogP2.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.98
LogP ≤ 52.38
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
2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide
CID 107608482
4-(4-bromo-2-fluorophenyl)-2,3-dimethylbutanoic acid
CID 81008051
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
3-amino-1-(4-bromo-2-fluorophenyl)butan-2-one
CID 116551805
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride
CID 170892207
4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene
CID 79435639
2-benzyl-3-(4-bromo-2-fluorophenyl)propanoic acid
CID 60793199
2,3-dibromo-1-(4-bromo-2-fluorophenyl)propan-1-one
CID 130137047
3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438236
1-(4-aminophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 106695442

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(4-bromo-2-fluorophenyl)propanamide?
The IUPAC name of 2-bromo-3-(4-bromo-2-fluorophenyl)propanamide (CID 104513020) is 2-bromo-3-(4-bromo-2-fluorophenyl)propanamide.
What is the SMILES notation for 2-bromo-3-(4-bromo-2-fluorophenyl)propanamide?
The canonical SMILES for 2-bromo-3-(4-bromo-2-fluorophenyl)propanamide is NC(=O)C(Br)Cc1ccc(Br)cc1F.
What is the InChIKey of 2-bromo-3-(4-bromo-2-fluorophenyl)propanamide?
The InChIKey is ZCGDROVFNVMLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2FNO/c10-6-2-1-5(8(12)4-6)3-7(11)9(13)14/h1-2,4,7H,3H2,(H2,13,14).
What are the key properties of 2-bromo-3-(4-bromo-2-fluorophenyl)propanamide?
2-bromo-3-(4-bromo-2-fluorophenyl)propanamide has a molecular weight of 324.98 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(4-bromo-2-fluorophenyl)propanamide is sourced from PubChem (CID 104513020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).