N-(2-chloro-2-triphenylsilylethyl)acetamide

C22H22ClNOSi — CID 102191603

IUPACN-(2-chloro-2-triphenylsilylethyl)acetamide
SMILESCC(=O)NCC(Cl)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22ClNOSi/c1-18(25)24-17-22(23)26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3,(H,24,25)
InChIKeyMANLAVHYAOTSMP-UHFFFAOYSA-N
MW379.96 g/mol
LogP2.44
Rot. Bonds6

About N-(2-chloro-2-triphenylsilylethyl)acetamide

N-(2-chloro-2-triphenylsilylethyl)acetamide (PubChem CID 102191603) has the molecular formula C22H22ClNOSi and a molecular weight of 379.96 g/mol. Its IUPAC name is N-(2-chloro-2-triphenylsilylethyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-2-triphenylsilylethyl)acetamide
PubChem CID102191603
Molecular FormulaC22H22ClNOSi
Molecular Weight379.96 g/mol
Exact Mass379.12
IUPAC NameN-(2-chloro-2-triphenylsilylethyl)acetamide
SMILESCC(=O)NCC(Cl)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22ClNOSi/c1-18(25)24-17-22(23)26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3,(H,24,25)
InChIKeyMANLAVHYAOTSMP-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.96
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[(2-Chloroacetyl)amino]methyl-triphenylphosphanium
CID 4061681
N-(3-triphenylstannylpropyl)acetamide
CID 313428
N-[2-[dimethyl(phenyl)silyl]ethyl]acetamide
CID 69457802
N-[1-[methyl(diphenyl)silyl]ethyl]acetamide
CID 60200807
N-[1-[methyl(diphenyl)silyl]propyl]acetamide
CID 60200808
N-[1-[hexyl(diphenyl)silyl]ethyl]acetamide
CID 60201146
N-[[methyl(diphenyl)silyl]methyl]acetamide
CID 102219373
N-[(1R)-1-[methyl(diphenyl)silyl]propyl]acetamide
CID 102582105
N-[(1R)-1-[methyl(diphenyl)silyl]ethyl]acetamide
CID 102582108
N-(2-chloro-2-triphenylsilylethyl)-2,2-dimethylpropanamide
CID 177547355

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-triphenylsilylethyl)acetamide?
The IUPAC name of N-(2-chloro-2-triphenylsilylethyl)acetamide (CID 102191603) is N-(2-chloro-2-triphenylsilylethyl)acetamide.
What is the SMILES notation for N-(2-chloro-2-triphenylsilylethyl)acetamide?
The canonical SMILES for N-(2-chloro-2-triphenylsilylethyl)acetamide is CC(=O)NCC(Cl)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-chloro-2-triphenylsilylethyl)acetamide?
The InChIKey is MANLAVHYAOTSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNOSi/c1-18(25)24-17-22(23)26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3,(H,24,25).
What are the key properties of N-(2-chloro-2-triphenylsilylethyl)acetamide?
N-(2-chloro-2-triphenylsilylethyl)acetamide has a molecular weight of 379.96 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-triphenylsilylethyl)acetamide is sourced from PubChem (CID 102191603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).