2-bromo-N-(3-fluoropropyl)propanamide

C6H11BrFNO — CID 130503981

IUPAC2-bromo-N-(3-fluoropropyl)propanamide
SMILESCC(Br)C(=O)NCCCF
InChIInChI=1S/C6H11BrFNO/c1-5(7)6(10)9-4-2-3-8/h5H,2-4H2,1H3,(H,9,10)
InChIKeyQSHXHMGMIMYKGI-UHFFFAOYSA-N
MW212.06 g/mol
LogP1.25
Rot. Bonds4

About 2-bromo-N-(3-fluoropropyl)propanamide

2-bromo-N-(3-fluoropropyl)propanamide (PubChem CID 130503981) has the molecular formula C6H11BrFNO and a molecular weight of 212.06 g/mol. Its IUPAC name is 2-bromo-N-(3-fluoropropyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(3-fluoropropyl)propanamide
PubChem CID130503981
Molecular FormulaC6H11BrFNO
Molecular Weight212.06 g/mol
Exact Mass211.00
IUPAC Name2-bromo-N-(3-fluoropropyl)propanamide
SMILESCC(Br)C(=O)NCCCF
InChIInChI=1S/C6H11BrFNO/c1-5(7)6(10)9-4-2-3-8/h5H,2-4H2,1H3,(H,9,10)
InChIKeyQSHXHMGMIMYKGI-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-acetamidoethyl)-2-bromopropanamide
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2-bromo-N-hex-5-ynylpropanamide
CID 106211130
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2-bromo-N-but-3-enylpropanamide
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CID 107905070
2-bromo-N-(2-butoxyethyl)propanamide
CID 107904787
2-bromo-N-(2-sulfamoylethyl)propanamide
CID 107903383
N-(4-bromopentyl)-2-methylpropanamide
CID 106130687
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
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2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-fluoropropyl)propanamide?
The IUPAC name of 2-bromo-N-(3-fluoropropyl)propanamide (CID 130503981) is 2-bromo-N-(3-fluoropropyl)propanamide.
What is the SMILES notation for 2-bromo-N-(3-fluoropropyl)propanamide?
The canonical SMILES for 2-bromo-N-(3-fluoropropyl)propanamide is CC(Br)C(=O)NCCCF.
What is the InChIKey of 2-bromo-N-(3-fluoropropyl)propanamide?
The InChIKey is QSHXHMGMIMYKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrFNO/c1-5(7)6(10)9-4-2-3-8/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-bromo-N-(3-fluoropropyl)propanamide?
2-bromo-N-(3-fluoropropyl)propanamide has a molecular weight of 212.06 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-fluoropropyl)propanamide is sourced from PubChem (CID 130503981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).