N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide

C21H25ClF3NO2Si — CID 91747733

IUPACN-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide
SMILESCC(Cc1ccc(O[Si](C)(C)C)cc1)N(Cc1ccccc1Cl)C(=O)C(F)(F)F
InChIInChI=1S/C21H25ClF3NO2Si/c1-15(13-16-9-11-18(12-10-16)28-29(2,3)4)26(20(27)21(23,24)25)14-17-7-5-6-8-19(17)22/h5-12,15H,13-14H2,1-4H3
InChIKeyXAILHBBALWXBCG-UHFFFAOYSA-N
MW443.97 g/mol
LogP6.08
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide

N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide (PubChem CID 91747733) has the molecular formula C21H25ClF3NO2Si and a molecular weight of 443.97 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide
PubChem CID91747733
Molecular FormulaC21H25ClF3NO2Si
Molecular Weight443.97 g/mol
Exact Mass443.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide
SMILESCC(Cc1ccc(O[Si](C)(C)C)cc1)N(Cc1ccccc1Cl)C(=O)C(F)(F)F
InChIInChI=1S/C21H25ClF3NO2Si/c1-15(13-16-9-11-18(12-10-16)28-29(2,3)4)26(20(27)21(23,24)25)14-17-7-5-6-8-19(17)22/h5-12,15H,13-14H2,1-4H3
InChIKeyXAILHBBALWXBCG-UHFFFAOYSA-N
XLogP6.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.97
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pholedrine, N-TFA-O-TMS
CID 529772
Hydroxybenzorex N-TFA-O-TMS
CID 91753852
Hydroxymefenorex N-TFA-O-TMS
CID 91753856
2-[3-[Tert-butyl(dimethyl)silyl]oxyphenyl]-4-(5-chloro-2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid
CID 68897069
(Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide
CID 51135382
3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide
CID 72045159
N-[(2-chlorophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 78848087
N-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 78852104
(E)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide
CID 97543897

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide (CID 91747733) is N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide is CC(Cc1ccc(O[Si](C)(C)C)cc1)N(Cc1ccccc1Cl)C(=O)C(F)(F)F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
The InChIKey is XAILHBBALWXBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClF3NO2Si/c1-15(13-16-9-11-18(12-10-16)28-29(2,3)4)26(20(27)21(23,24)25)14-17-7-5-6-8-19(17)22/h5-12,15H,13-14H2,1-4H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide has a molecular weight of 443.97 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 91747733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).