3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide

C23H29F6NO3Si2 — CID 526014

IUPAC3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide
SMILESC[Si](C)(C)Oc1cccc(C(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[Si](C)(C)C)c1
InChIInChI=1S/C23H29F6NO3Si2/c1-34(2,3)32-19-9-7-8-15(12-19)20(33-35(4,5)6)14-30-21(31)16-10-17(22(24,25)26)13-18(11-16)23(27,28)29/h7-13,20H,14H2,1-6H3,(H,30,31)
InChIKeyTXMHBEXMPLFNAE-UHFFFAOYSA-N
MW537.65 g/mol
LogP7.26
Rot. Bonds8

About 3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide

3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide (PubChem CID 526014) has the molecular formula C23H29F6NO3Si2 and a molecular weight of 537.65 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide
PubChem CID526014
Molecular FormulaC23H29F6NO3Si2
Molecular Weight537.65 g/mol
Exact Mass537.16
IUPAC Name3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide
SMILESC[Si](C)(C)Oc1cccc(C(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[Si](C)(C)C)c1
InChIInChI=1S/C23H29F6NO3Si2/c1-34(2,3)32-19-9-7-8-15(12-19)20(33-35(4,5)6)14-30-21(31)16-10-17(22(24,25)26)13-18(11-16)23(27,28)29/h7-13,20H,14H2,1-6H3,(H,30,31)
InChIKeyTXMHBEXMPLFNAE-UHFFFAOYSA-N
XLogP7.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.65
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
N-[2-(tert-Butyldimethylsilanyloxy)-2-phenylethyl]-3,5-difluorobenzamide
CID 139253383
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide
CID 45892678
N-[(R)-2-methoxy-2-(m-methoxyphenyl)ethyl]2,4-difluorobenzamide
CID 97553680
N-[(R)-2-methoxy-2-(m-methoxyphenyl)ethyl]m-(trifluoromethyl)benzamide
CID 97553718
Adrenaline, DTFMB-TMS
CID 526012
Dopamine, N-DTFMB-TMS
CID 526013
m-Synephrine, DTFMB-TMS
CID 526015
o-Synephrine, N-DTFMB-TMS
CID 526017
Phenylethanolamine, N-DTFMB-TMS
CID 526018
Phenylethanolamine, N-methyl, N-DTFMB-TMS
CID 526019
p-Synephrine, DTFMB-TMS
CID 526020

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide?
The IUPAC name of 3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide (CID 526014) is 3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide?
The canonical SMILES for 3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide is C[Si](C)(C)Oc1cccc(C(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[Si](C)(C)C)c1.
What is the InChIKey of 3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide?
The InChIKey is TXMHBEXMPLFNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F6NO3Si2/c1-34(2,3)32-19-9-7-8-15(12-19)20(33-35(4,5)6)14-30-21(31)16-10-17(22(24,25)26)13-18(11-16)23(27,28)29/h7-13,20H,14H2,1-6H3,(H,30,31).
What are the key properties of 3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide?
3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide has a molecular weight of 537.65 g/mol, XLogP of 7.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 526014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).