N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide

C16H23BrClF3N2O2Si — CID 86668084

IUPACN-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide
SMILESCC[Si](CC)(CC)c1cc(Br)nc([C@](CO)(NC(=O)CCl)C(F)F)c1F
InChIInChI=1S/C16H23BrClF3N2O2Si/c1-4-26(5-2,6-3)10-7-11(17)22-14(13(10)19)16(9-24,15(20)21)23-12(25)8-18/h7,15,24H,4-6,8-9H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyWAAMPRHWEZVMEQ-INIZCTEOSA-N
MW475.81 g/mol
LogP3.51
Rot. Bonds9

About N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide

N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide (PubChem CID 86668084) has the molecular formula C16H23BrClF3N2O2Si and a molecular weight of 475.81 g/mol. Its IUPAC name is N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide
PubChem CID86668084
Molecular FormulaC16H23BrClF3N2O2Si
Molecular Weight475.81 g/mol
Exact Mass474.04
IUPAC NameN-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide
SMILESCC[Si](CC)(CC)c1cc(Br)nc([C@](CO)(NC(=O)CCl)C(F)F)c1F
InChIInChI=1S/C16H23BrClF3N2O2Si/c1-4-26(5-2,6-3)10-7-11(17)22-14(13(10)19)16(9-24,15(20)21)23-12(25)8-18/h7,15,24H,4-6,8-9H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyWAAMPRHWEZVMEQ-INIZCTEOSA-N
XLogP3.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.81
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide?
The IUPAC name of N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide (CID 86668084) is N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide.
What is the SMILES notation for N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide?
The canonical SMILES for N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide is CC[Si](CC)(CC)c1cc(Br)nc([C@](CO)(NC(=O)CCl)C(F)F)c1F.
What is the InChIKey of N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide?
The InChIKey is WAAMPRHWEZVMEQ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23BrClF3N2O2Si/c1-4-26(5-2,6-3)10-7-11(17)22-14(13(10)19)16(9-24,15(20)21)23-12(25)8-18/h7,15,24H,4-6,8-9H2,1-3H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide?
N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide has a molecular weight of 475.81 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide is sourced from PubChem (CID 86668084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).