2-bromo-N-((18F)fluoromethyl)acetamide

C3H5BrFNO — CID 59184410

IUPAC2-bromo-N-((18F)fluoromethyl)acetamide
SMILESO=C(CBr)NC[18F]
InChIInChI=1S/C3H5BrFNO/c4-1-3(7)6-2-5/h1-2H2,(H,6,7)/i5-1
InChIKeyJFCNLVVHIHGOMX-SFIIULIVSA-N
MW168.98 g/mol
LogP0.42
Rot. Bonds2

About 2-bromo-N-((18F)fluoromethyl)acetamide

2-bromo-N-((18F)fluoromethyl)acetamide (PubChem CID 59184410) has the molecular formula C3H5BrFNO and a molecular weight of 168.98 g/mol. Its IUPAC name is 2-bromo-N-((18F)fluoromethyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-((18F)fluoromethyl)acetamide
PubChem CID59184410
Molecular FormulaC3H5BrFNO
Molecular Weight168.98 g/mol
Exact Mass167.96
IUPAC Name2-bromo-N-((18F)fluoromethyl)acetamide
SMILESO=C(CBr)NC[18F]
InChIInChI=1S/C3H5BrFNO/c4-1-3(7)6-2-5/h1-2H2,(H,6,7)/i5-1
InChIKeyJFCNLVVHIHGOMX-SFIIULIVSA-N
XLogP0.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.98
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-((18F)fluoromethyl)acetamide?
The IUPAC name of 2-bromo-N-((18F)fluoromethyl)acetamide (CID 59184410) is 2-bromo-N-((18F)fluoromethyl)acetamide.
What is the SMILES notation for 2-bromo-N-((18F)fluoromethyl)acetamide?
The canonical SMILES for 2-bromo-N-((18F)fluoromethyl)acetamide is O=C(CBr)NC[18F].
What is the InChIKey of 2-bromo-N-((18F)fluoromethyl)acetamide?
The InChIKey is JFCNLVVHIHGOMX-SFIIULIVSA-N. The full InChI is InChI=1S/C3H5BrFNO/c4-1-3(7)6-2-5/h1-2H2,(H,6,7)/i5-1.
What are the key properties of 2-bromo-N-((18F)fluoromethyl)acetamide?
2-bromo-N-((18F)fluoromethyl)acetamide has a molecular weight of 168.98 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-((18F)fluoromethyl)acetamide is sourced from PubChem (CID 59184410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).