N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide

C27H32FNO2Si — CID 141146961

IUPACN-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(F)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C27H32FNO2Si/c1-21-15-17-22(18-16-21)26(30)29-19-23(28)20-31-32(27(2,3)4,24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,23H,19-20H2,1-4H3,(H,29,30)
InChIKeyJZNFOKHJRYDQOE-UHFFFAOYSA-N
MW449.64 g/mol
LogP4.64
Rot. Bonds8

About N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide

N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide (PubChem CID 141146961) has the molecular formula C27H32FNO2Si and a molecular weight of 449.64 g/mol. Its IUPAC name is N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide
PubChem CID141146961
Molecular FormulaC27H32FNO2Si
Molecular Weight449.64 g/mol
Exact Mass449.22
IUPAC NameN-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(F)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C27H32FNO2Si/c1-21-15-17-22(18-16-21)26(30)29-19-23(28)20-31-32(27(2,3)4,24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,23H,19-20H2,1-4H3,(H,29,30)
InChIKeyJZNFOKHJRYDQOE-UHFFFAOYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.64
LogP ≤ 54.64
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 N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide?
The IUPAC name of N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide (CID 141146961) is N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(F)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide?
The InChIKey is JZNFOKHJRYDQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FNO2Si/c1-21-15-17-22(18-16-21)26(30)29-19-23(28)20-31-32(27(2,3)4,24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,23H,19-20H2,1-4H3,(H,29,30).
What are the key properties of N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide?
N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide has a molecular weight of 449.64 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide is sourced from PubChem (CID 141146961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).