2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide

C14H21BrClNO2Si — CID 90291132

IUPAC2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)CBr)c(Cl)c1
InChIInChI=1S/C14H21BrClNO2Si/c1-14(2,3)20(4,5)19-10-6-7-12(11(16)8-10)17-13(18)9-15/h6-8H,9H2,1-5H3,(H,17,18)
InChIKeyRSTAMYLIYWELDU-UHFFFAOYSA-N
MW378.77 g/mol
LogP5.06
Rot. Bonds4

About 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide

2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide (PubChem CID 90291132) has the molecular formula C14H21BrClNO2Si and a molecular weight of 378.77 g/mol. Its IUPAC name is 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide
PubChem CID90291132
Molecular FormulaC14H21BrClNO2Si
Molecular Weight378.77 g/mol
Exact Mass377.02
IUPAC Name2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)CBr)c(Cl)c1
InChIInChI=1S/C14H21BrClNO2Si/c1-14(2,3)20(4,5)19-10-6-7-12(11(16)8-10)17-13(18)9-15/h6-8H,9H2,1-5H3,(H,17,18)
InChIKeyRSTAMYLIYWELDU-UHFFFAOYSA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.77
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol
CID 175118299
N-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide
CID 102154880
tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane
CID 10777512
N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86860337
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
CID 86860346
N-(2-chloro-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 115178559
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
tert-butyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[(3-chlorophenyl)methyl]indole-1-carboxylate
CID 46201469
[4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid
CID 87591455
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide?
The IUPAC name of 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide (CID 90291132) is 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide?
The canonical SMILES for 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide is CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)CBr)c(Cl)c1.
What is the InChIKey of 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide?
The InChIKey is RSTAMYLIYWELDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClNO2Si/c1-14(2,3)20(4,5)19-10-6-7-12(11(16)8-10)17-13(18)9-15/h6-8H,9H2,1-5H3,(H,17,18).
What are the key properties of 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide?
2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide has a molecular weight of 378.77 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide is sourced from PubChem (CID 90291132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).