N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide

C21H28FNO2Si — CID 167484906

IUPACN-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide
SMILESCCN(C(=O)c1ccccc1F)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C21H28FNO2Si/c1-7-23(20(24)18-13-8-9-14-19(18)22)16-11-10-12-17(15-16)25-26(5,6)21(2,3)4/h8-15H,7H2,1-6H3
InChIKeyUZCRJPKQKPGEBY-UHFFFAOYSA-N
MW373.54 g/mol
LogP5.88
Rot. Bonds5

About N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide

N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide (PubChem CID 167484906) has the molecular formula C21H28FNO2Si and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide
PubChem CID167484906
Molecular FormulaC21H28FNO2Si
Molecular Weight373.54 g/mol
Exact Mass373.19
IUPAC NameN-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide
SMILESCCN(C(=O)c1ccccc1F)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C21H28FNO2Si/c1-7-23(20(24)18-13-8-9-14-19(18)22)16-11-10-12-17(15-16)25-26(5,6)21(2,3)4/h8-15H,7H2,1-6H3
InChIKeyUZCRJPKQKPGEBY-UHFFFAOYSA-N
XLogP5.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.88
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

N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide
CID 67278413
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
N-ethyl-3-fluoro-2-hydrazinyl-N-(3-methylphenyl)benzamide
CID 62660273
N-ethyl-2-fluoro-N-(1,3-thiazol-5-yl)benzamide
CID 118437757
2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide
CID 167484844
tert-butyl-(2-ethyl-6-fluorophenoxy)-dimethylsilane
CID 90310844
3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 66482587
N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide
CID 169238137
N-ethyl-2,3-dihydroxy-N-phenylbenzamide
CID 114343845
2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592661
3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid
CID 68579544

Frequently Asked Questions

What is the IUPAC name of N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide?
The IUPAC name of N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide (CID 167484906) is N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide?
The canonical SMILES for N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide is CCN(C(=O)c1ccccc1F)c1cccc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide?
The InChIKey is UZCRJPKQKPGEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO2Si/c1-7-23(20(24)18-13-8-9-14-19(18)22)16-11-10-12-17(15-16)25-26(5,6)21(2,3)4/h8-15H,7H2,1-6H3.
What are the key properties of N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide?
N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide has a molecular weight of 373.54 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 167484906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).