2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide

C16H22F2N2O2Si — CID 140781410

IUPAC2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide
SMILESC[Si](C)(C)c1c(F)cc(NC(=O)C(N)C2=CCOCC2)cc1F
InChIInChI=1S/C16H22F2N2O2Si/c1-23(2,3)15-12(17)8-11(9-13(15)18)20-16(21)14(19)10-4-6-22-7-5-10/h4,8-9,14H,5-7,19H2,1-3H3,(H,20,21)
InChIKeyLUYALGKJTVHPBU-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide

2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide (PubChem CID 140781410) has the molecular formula C16H22F2N2O2Si and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide
PubChem CID140781410
Molecular FormulaC16H22F2N2O2Si
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide
SMILESC[Si](C)(C)c1c(F)cc(NC(=O)C(N)C2=CCOCC2)cc1F
InChIInChI=1S/C16H22F2N2O2Si/c1-23(2,3)15-12(17)8-11(9-13(15)18)20-16(21)14(19)10-4-6-22-7-5-10/h4,8-9,14H,5-7,19H2,1-3H3,(H,20,21)
InChIKeyLUYALGKJTVHPBU-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide (CID 140781410) is 2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide is C[Si](C)(C)c1c(F)cc(NC(=O)C(N)C2=CCOCC2)cc1F.
What is the InChIKey of 2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide?
The InChIKey is LUYALGKJTVHPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2Si/c1-23(2,3)15-12(17)8-11(9-13(15)18)20-16(21)14(19)10-4-6-22-7-5-10/h4,8-9,14H,5-7,19H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide?
2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)acetamide is sourced from PubChem (CID 140781410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).