N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide

C21H27ClF5NO2Si — CID 91745160

IUPACN-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide
SMILESCC(C)(C)[Si](C)(C)N(C(=O)C(F)(F)C(F)(F)F)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C21H27ClF5NO2Si/c1-18(2,3)31(4,5)28(17(30)20(23,24)21(25,26)27)19(13-9-8-12-16(19)29)14-10-6-7-11-15(14)22/h6-7,10-11H,8-9,12-13H2,1-5H3
InChIKeyYEZSYWHTWJIJHO-UHFFFAOYSA-N
MW483.98 g/mol
LogP6.71
Rot. Bonds4

About N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide

N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide (PubChem CID 91745160) has the molecular formula C21H27ClF5NO2Si and a molecular weight of 483.98 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide
PubChem CID91745160
Molecular FormulaC21H27ClF5NO2Si
Molecular Weight483.98 g/mol
Exact Mass483.14
IUPAC NameN-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide
SMILESCC(C)(C)[Si](C)(C)N(C(=O)C(F)(F)C(F)(F)F)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C21H27ClF5NO2Si/c1-18(2,3)31(4,5)28(17(30)20(23,24)21(25,26)27)19(13-9-8-12-16(19)29)14-10-6-7-11-15(14)22/h6-7,10-11H,8-9,12-13H2,1-5H3
InChIKeyYEZSYWHTWJIJHO-UHFFFAOYSA-N
XLogP6.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.98
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide (CID 91745160) is N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide is CC(C)(C)[Si](C)(C)N(C(=O)C(F)(F)C(F)(F)F)C1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is YEZSYWHTWJIJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClF5NO2Si/c1-18(2,3)31(4,5)28(17(30)20(23,24)21(25,26)27)19(13-9-8-12-16(19)29)14-10-6-7-11-15(14)22/h6-7,10-11H,8-9,12-13H2,1-5H3.
What are the key properties of N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide?
N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 483.98 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 91745160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).