2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C22H37BFNO4Si — CID 175824063

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCNC(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H37BFNO4Si/c1-20(2,3)30(9,10)27-12-11-15-13-16(14-17(24)18(15)19(26)25-8)23-28-21(4,5)22(6,7)29-23/h13-14H,11-12H2,1-10H3,(H,25,26)
InChIKeyOZZYITUVNCVTEC-UHFFFAOYSA-N
MW437.44 g/mol
LogP4.05
Rot. Bonds6

About 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (PubChem CID 175824063) has the molecular formula C22H37BFNO4Si and a molecular weight of 437.44 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
PubChem CID175824063
Molecular FormulaC22H37BFNO4Si
Molecular Weight437.44 g/mol
Exact Mass437.26
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCNC(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H37BFNO4Si/c1-20(2,3)30(9,10)27-12-11-15-13-16(14-17(24)18(15)19(26)25-8)23-28-21(4,5)22(6,7)29-23/h13-14H,11-12H2,1-10H3,(H,25,26)
InChIKeyOZZYITUVNCVTEC-UHFFFAOYSA-N
XLogP4.05
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CID 175824063) is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is CNC(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The InChIKey is OZZYITUVNCVTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37BFNO4Si/c1-20(2,3)30(9,10)27-12-11-15-13-16(14-17(24)18(15)19(26)25-8)23-28-21(4,5)22(6,7)29-23/h13-14H,11-12H2,1-10H3,(H,25,26).
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide has a molecular weight of 437.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is sourced from PubChem (CID 175824063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).