N-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide

C28H28ClNO2Si — CID 18536143

IUPACN-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide
SMILESCC(=O)N(Cl)c1cccc2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc12
InChIInChI=1S/C28H28ClNO2Si/c1-21(31)30(29)27-17-11-12-22-18-19-23(20-26(22)27)32-33(28(2,3)4,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-20H,1-4H3
InChIKeyXHELDYWOAJNQDE-UHFFFAOYSA-N
MW474.08 g/mol
LogP6.29
Rot. Bonds5

About N-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide

N-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide (PubChem CID 18536143) has the molecular formula C28H28ClNO2Si and a molecular weight of 474.08 g/mol. Its IUPAC name is N-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide.

Molecular Properties

Compound NameN-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide
PubChem CID18536143
Molecular FormulaC28H28ClNO2Si
Molecular Weight474.08 g/mol
Exact Mass473.16
IUPAC NameN-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide
SMILESCC(=O)N(Cl)c1cccc2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc12
InChIInChI=1S/C28H28ClNO2Si/c1-21(31)30(29)27-17-11-12-22-18-19-23(20-26(22)27)32-33(28(2,3)4,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-20H,1-4H3
InChIKeyXHELDYWOAJNQDE-UHFFFAOYSA-N
XLogP6.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.08
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
CID 14645565
5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybenzamide
CID 177114927
chloro(naphthalen-1-yl)carbamic acid;hydrochloride
CID 88734221
[4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate
CID 102427831
2-[4-[tert-butyl(diphenyl)silyl]oxyphenoxy]ethanol
CID 10916195
2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
CID 44598255
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093
ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate
CID 44818827
tert-butyl 6-[tert-butyl(diphenyl)silyl]oxy-3-iodoindazole-1-carboxylate
CID 59373800
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237
7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one
CID 58438647

Frequently Asked Questions

What is the IUPAC name of N-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide?
The IUPAC name of N-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide (CID 18536143) is N-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide.
What is the SMILES notation for N-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide?
The canonical SMILES for N-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide is CC(=O)N(Cl)c1cccc2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc12.
What is the InChIKey of N-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide?
The InChIKey is XHELDYWOAJNQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClNO2Si/c1-21(31)30(29)27-17-11-12-22-18-19-23(20-26(22)27)32-33(28(2,3)4,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-20H,1-4H3.
What are the key properties of N-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide?
N-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide has a molecular weight of 474.08 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide is sourced from PubChem (CID 18536143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).