N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide

C21H28BrNO2Si — CID 139253351

IUPACN-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide
SMILESCC(C)(C)[Si](C)(C)OC(CNC(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H28BrNO2Si/c1-21(2,3)26(4,5)25-19(16-11-13-18(22)14-12-16)15-23-20(24)17-9-7-6-8-10-17/h6-14,19H,15H2,1-5H3,(H,23,24)
InChIKeyAXUWOQIEUXPKQX-UHFFFAOYSA-N
MW434.45 g/mol
LogP5.94
Rot. Bonds6

About N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide

N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide (PubChem CID 139253351) has the molecular formula C21H28BrNO2Si and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide
PubChem CID139253351
Molecular FormulaC21H28BrNO2Si
Molecular Weight434.45 g/mol
Exact Mass433.11
IUPAC NameN-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide
SMILESCC(C)(C)[Si](C)(C)OC(CNC(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H28BrNO2Si/c1-21(2,3)26(4,5)25-19(16-11-13-18(22)14-12-16)15-23-20(24)17-9-7-6-8-10-17/h6-14,19H,15H2,1-5H3,(H,23,24)
InChIKeyAXUWOQIEUXPKQX-UHFFFAOYSA-N
XLogP5.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.45
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2-(benzamidomethyl)-3-(4-bromophenyl)-3-hydroxypropanoic acid
CID 175172319
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxo-4-phenylbutanoate
CID 23729831
4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 139185391
4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 6936176
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24635359
tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane
CID 15262613
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
benzyl 4-[1-[tert-butyl(dimethyl)silyl]oxy-3-tert-butylsulfanyl-3-oxopropyl]benzoate
CID 23242385
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
2,2,2-tribromoethyl (2R,6S)-2-(4-bromophenyl)-6-[tert-butyl(dimethyl)silyl]oxyheptanoate
CID 133082102

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide (CID 139253351) is N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide is CC(C)(C)[Si](C)(C)OC(CNC(=O)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide?
The InChIKey is AXUWOQIEUXPKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28BrNO2Si/c1-21(2,3)26(4,5)25-19(16-11-13-18(22)14-12-16)15-23-20(24)17-9-7-6-8-10-17/h6-14,19H,15H2,1-5H3,(H,23,24).
What are the key properties of N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide?
N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide has a molecular weight of 434.45 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide is sourced from PubChem (CID 139253351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).