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

C9H8BrClFNO — CID 104513002

IUPAC2-bromo-3-(3-chloro-2-fluorophenyl)propanamide
SMILESNC(=O)C(Br)Cc1cccc(Cl)c1F
InChIInChI=1S/C9H8BrClFNO/c10-6(9(13)14)4-5-2-1-3-7(11)8(5)12/h1-3,6H,4H2,(H2,13,14)
InChIKeyNAEQGSJGBHYKAD-UHFFFAOYSA-N
MW280.52 g/mol
LogP2.27
Rot. Bonds3

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

2-bromo-3-(3-chloro-2-fluorophenyl)propanamide (PubChem CID 104513002) has the molecular formula C9H8BrClFNO and a molecular weight of 280.52 g/mol. Its IUPAC name is 2-bromo-3-(3-chloro-2-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-3-(3-chloro-2-fluorophenyl)propanamide
PubChem CID104513002
Molecular FormulaC9H8BrClFNO
Molecular Weight280.52 g/mol
Exact Mass278.95
IUPAC Name2-bromo-3-(3-chloro-2-fluorophenyl)propanamide
SMILESNC(=O)C(Br)Cc1cccc(Cl)c1F
InChIInChI=1S/C9H8BrClFNO/c10-6(9(13)14)4-5-2-1-3-7(11)8(5)12/h1-3,6H,4H2,(H2,13,14)
InChIKeyNAEQGSJGBHYKAD-UHFFFAOYSA-N
XLogP2.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.52
LogP ≤ 52.27
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-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate
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1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene
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1-(3-bromo-2-methylbutyl)-3-chloro-2-fluorobenzene
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2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601
1-(3-bromo-2-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 106645174
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
3-bromo-4-(2,3-dichlorophenyl)butan-2-one
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1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
2-chloro-3-(3-chloro-2-fluorophenyl)propanal
CID 62393384
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(3-chloro-2-fluorophenyl)propanamide?
The IUPAC name of 2-bromo-3-(3-chloro-2-fluorophenyl)propanamide (CID 104513002) is 2-bromo-3-(3-chloro-2-fluorophenyl)propanamide.
What is the SMILES notation for 2-bromo-3-(3-chloro-2-fluorophenyl)propanamide?
The canonical SMILES for 2-bromo-3-(3-chloro-2-fluorophenyl)propanamide is NC(=O)C(Br)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-bromo-3-(3-chloro-2-fluorophenyl)propanamide?
The InChIKey is NAEQGSJGBHYKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFNO/c10-6(9(13)14)4-5-2-1-3-7(11)8(5)12/h1-3,6H,4H2,(H2,13,14).
What are the key properties of 2-bromo-3-(3-chloro-2-fluorophenyl)propanamide?
2-bromo-3-(3-chloro-2-fluorophenyl)propanamide has a molecular weight of 280.52 g/mol, XLogP of 2.27, 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-chloro-2-fluorophenyl)propanamide is sourced from PubChem (CID 104513002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).