N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide

C23H29F6NO3Si2 — CID 526013

IUPACN-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESC[Si](C)(C)Oc1ccc(CCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1O[Si](C)(C)C
InChIInChI=1S/C23H29F6NO3Si2/c1-34(2,3)32-19-8-7-15(11-20(19)33-35(4,5)6)9-10-30-21(31)16-12-17(22(24,25)26)14-18(13-16)23(27,28)29/h7-8,11-14H,9-10H2,1-6H3,(H,30,31)
InChIKeyPYXIZYRTPJQVIZ-UHFFFAOYSA-N
MW537.65 g/mol
LogP7.12
Rot. Bonds8

About N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 526013) has the molecular formula C23H29F6NO3Si2 and a molecular weight of 537.65 g/mol. Its IUPAC name is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID526013
Molecular FormulaC23H29F6NO3Si2
Molecular Weight537.65 g/mol
Exact Mass537.16
IUPAC NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESC[Si](C)(C)Oc1ccc(CCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1O[Si](C)(C)C
InChIInChI=1S/C23H29F6NO3Si2/c1-34(2,3)32-19-8-7-15(11-20(19)33-35(4,5)6)9-10-30-21(31)16-12-17(22(24,25)26)14-18(13-16)23(27,28)29/h7-8,11-14H,9-10H2,1-6H3,(H,30,31)
InChIKeyPYXIZYRTPJQVIZ-UHFFFAOYSA-N
XLogP7.12
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 ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide (CID 526013) is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide is C[Si](C)(C)Oc1ccc(CCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1O[Si](C)(C)C.
What is the InChIKey of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is PYXIZYRTPJQVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F6NO3Si2/c1-34(2,3)32-19-8-7-15(11-20(19)33-35(4,5)6)9-10-30-21(31)16-12-17(22(24,25)26)14-18(13-16)23(27,28)29/h7-8,11-14H,9-10H2,1-6H3,(H,30,31).
What are the key properties of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 537.65 g/mol, XLogP of 7.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 526013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).