4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide

C29H26ClF2NO2Si — CID 153278597

IUPAC4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide
SMILESCC(C)(C)[Si](Oc1cccc(F)c1-c1cc(F)c(C(N)=O)cc1Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26ClF2NO2Si/c1-29(2,3)36(19-11-6-4-7-12-19,20-13-8-5-9-14-20)35-26-16-10-15-24(31)27(26)21-18-25(32)22(28(33)34)17-23(21)30/h4-18H,1-3H3,(H2,33,34)
InChIKeyJJUGOIVDIGATKB-UHFFFAOYSA-N
MW522.07 g/mol
LogP6.32
Rot. Bonds6

About 4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide

4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide (PubChem CID 153278597) has the molecular formula C29H26ClF2NO2Si and a molecular weight of 522.07 g/mol. Its IUPAC name is 4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide.

Molecular Properties

Compound Name4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide
PubChem CID153278597
Molecular FormulaC29H26ClF2NO2Si
Molecular Weight522.07 g/mol
Exact Mass521.14
IUPAC Name4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide
SMILESCC(C)(C)[Si](Oc1cccc(F)c1-c1cc(F)c(C(N)=O)cc1Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26ClF2NO2Si/c1-29(2,3)36(19-11-6-4-7-12-19,20-13-8-5-9-14-20)35-26-16-10-15-24(31)27(26)21-18-25(32)22(28(33)34)17-23(21)30/h4-18H,1-3H3,(H2,33,34)
InChIKeyJJUGOIVDIGATKB-UHFFFAOYSA-N
XLogP6.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.07
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide?
The IUPAC name of 4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide (CID 153278597) is 4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide.
What is the SMILES notation for 4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide?
The canonical SMILES for 4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide is CC(C)(C)[Si](Oc1cccc(F)c1-c1cc(F)c(C(N)=O)cc1Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide?
The InChIKey is JJUGOIVDIGATKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClF2NO2Si/c1-29(2,3)36(19-11-6-4-7-12-19,20-13-8-5-9-14-20)35-26-16-10-15-24(31)27(26)21-18-25(32)22(28(33)34)17-23(21)30/h4-18H,1-3H3,(H2,33,34).
What are the key properties of 4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide?
4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide has a molecular weight of 522.07 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide is sourced from PubChem (CID 153278597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).