N-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide

C31H46ClNO3Si — CID 102154880

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide
SMILESCCCCCCCCCCCC(=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C31H46ClNO3Si/c1-7-8-9-10-11-12-13-14-15-20-29(34)26-23-24(36-37(5,6)31(2,3)4)21-22-28(26)33-30(35)25-18-16-17-19-27(25)32/h16-19,21-23H,7-15,20H2,1-6H3,(H,33,35)
InChIKeyVZLSFPLRWPEXCD-UHFFFAOYSA-N
MW544.25 g/mol
LogP10.08
Rot. Bonds15

About N-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide

N-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide (PubChem CID 102154880) has the molecular formula C31H46ClNO3Si and a molecular weight of 544.25 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide
PubChem CID102154880
Molecular FormulaC31H46ClNO3Si
Molecular Weight544.25 g/mol
Exact Mass543.29
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide
SMILESCCCCCCCCCCCC(=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C31H46ClNO3Si/c1-7-8-9-10-11-12-13-14-15-20-29(34)26-23-24(36-37(5,6)31(2,3)4)21-22-28(26)33-30(35)25-18-16-17-19-27(25)32/h16-19,21-23H,7-15,20H2,1-6H3,(H,33,35)
InChIKeyVZLSFPLRWPEXCD-UHFFFAOYSA-N
XLogP10.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.25
LogP ≤ 510.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)dodecan-1-one
CID 114963350
1-[2-(2-chloropropan-2-yl)phenyl]dodecan-1-one
CID 141160289
[2-[tert-butyl(dimethyl)silyl]oxy-4-octoxyphenyl]-phenylmethanone
CID 171060871
N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide
CID 53268072
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-chloro-N-undecylbenzamide
CID 3373978
N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide
CID 17111386
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239
N-(2-chlorophenyl)octanamide
CID 2292983
1-(3-bromo-2-chlorophenyl)nonan-1-one
CID 114966915
1-(4-bromo-2-chlorophenyl)undecan-1-one
CID 114968877

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide (CID 102154880) is N-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide is CCCCCCCCCCCC(=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide?
The InChIKey is VZLSFPLRWPEXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46ClNO3Si/c1-7-8-9-10-11-12-13-14-15-20-29(34)26-23-24(36-37(5,6)31(2,3)4)21-22-28(26)33-30(35)25-18-16-17-19-27(25)32/h16-19,21-23H,7-15,20H2,1-6H3,(H,33,35).
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide?
N-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide has a molecular weight of 544.25 g/mol, XLogP of 10.08, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide is sourced from PubChem (CID 102154880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).