2-fluoro-N-methyl-2-phenylselanylacetamide

C9H10FNOSe — CID 11413907

IUPAC2-fluoro-N-methyl-2-phenylselanylacetamide
SMILESCNC(=O)C(F)[Se]c1ccccc1
InChIInChI=1S/C9H10FNOSe/c1-11-9(12)8(10)13-7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,12)
InChIKeyAESCJNOVFCNCCX-UHFFFAOYSA-N
MW246.14 g/mol
LogP0.06
Rot. Bonds3

About 2-fluoro-N-methyl-2-phenylselanylacetamide

2-fluoro-N-methyl-2-phenylselanylacetamide (PubChem CID 11413907) has the molecular formula C9H10FNOSe and a molecular weight of 246.14 g/mol. Its IUPAC name is 2-fluoro-N-methyl-2-phenylselanylacetamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-2-phenylselanylacetamide
PubChem CID11413907
Molecular FormulaC9H10FNOSe
Molecular Weight246.14 g/mol
Exact Mass246.99
IUPAC Name2-fluoro-N-methyl-2-phenylselanylacetamide
SMILESCNC(=O)C(F)[Se]c1ccccc1
InChIInChI=1S/C9H10FNOSe/c1-11-9(12)8(10)13-7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,12)
InChIKeyAESCJNOVFCNCCX-UHFFFAOYSA-N
XLogP0.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Azetidinone, 4-(phenylseleno)-
CID 3278057
2-Fluoro-2-phenylselanylacetamide
CID 16093758
2-Fluoro-2-methyl-3-phenylselanylpropanamide
CID 139265053
3-Fluoro-2-methyl-2-phenylselanylpropanamide
CID 154713454
2-(Phenylselanyl)acetamide
CID 12557564
2-fluoro-N,N-dimethyl-2-phenylselanylacetamide
CID 11448324
N-methyl-2-phenylselanylacetamide
CID 12156640
N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide
CID 11257483
N-(1-phenylselanylhexan-2-yl)acetamide
CID 12758741
N-phenylselanylacetamide
CID 13587047
N-(1-phenylselanylpentyl)acetamide
CID 139264953
N-(1-phenylselanylheptyl)acetamide
CID 139264954

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-2-phenylselanylacetamide?
The IUPAC name of 2-fluoro-N-methyl-2-phenylselanylacetamide (CID 11413907) is 2-fluoro-N-methyl-2-phenylselanylacetamide.
What is the SMILES notation for 2-fluoro-N-methyl-2-phenylselanylacetamide?
The canonical SMILES for 2-fluoro-N-methyl-2-phenylselanylacetamide is CNC(=O)C(F)[Se]c1ccccc1.
What is the InChIKey of 2-fluoro-N-methyl-2-phenylselanylacetamide?
The InChIKey is AESCJNOVFCNCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNOSe/c1-11-9(12)8(10)13-7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,12).
What are the key properties of 2-fluoro-N-methyl-2-phenylselanylacetamide?
2-fluoro-N-methyl-2-phenylselanylacetamide has a molecular weight of 246.14 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-2-phenylselanylacetamide is sourced from PubChem (CID 11413907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).