N-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide

C28H30F2N4O3Si — CID 140781326

IUPACN-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide
SMILESCOCc1ccc(C(NC(=O)Cn2ncc3ccccc32)C(=O)Nc2cc(F)c([Si](C)(C)C)cc2F)cc1
InChIInChI=1S/C28H30F2N4O3Si/c1-37-17-18-9-11-19(12-10-18)27(33-26(35)16-34-24-8-6-5-7-20(24)15-31-34)28(36)32-23-13-22(30)25(14-21(23)29)38(2,3)4/h5-15,27H,16-17H2,1-4H3,(H,32,36)(H,33,35)
InChIKeyXJDQELJJEWKINW-UHFFFAOYSA-N
MW536.66 g/mol
LogP4.50
Rot. Bonds9

About N-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide

N-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide (PubChem CID 140781326) has the molecular formula C28H30F2N4O3Si and a molecular weight of 536.66 g/mol. Its IUPAC name is N-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide
PubChem CID140781326
Molecular FormulaC28H30F2N4O3Si
Molecular Weight536.66 g/mol
Exact Mass536.21
IUPAC NameN-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide
SMILESCOCc1ccc(C(NC(=O)Cn2ncc3ccccc32)C(=O)Nc2cc(F)c([Si](C)(C)C)cc2F)cc1
InChIInChI=1S/C28H30F2N4O3Si/c1-37-17-18-9-11-19(12-10-18)27(33-26(35)16-34-24-8-6-5-7-20(24)15-31-34)28(36)32-23-13-22(30)25(14-21(23)29)38(2,3)4/h5-15,27H,16-17H2,1-4H3,(H,32,36)(H,33,35)
InChIKeyXJDQELJJEWKINW-UHFFFAOYSA-N
XLogP4.50
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.66
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate
CID 97260617
N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide
CID 140781164
N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide
CID 159500159
(2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide
CID 125465615
(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
CID 119238085
N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide
CID 152913842
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide
CID 110002753
N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-2-indazol-1-ylacetamide
CID 20885367
(4-nitrophenyl) N-[(1R)-2-(3-fluoro-4-trimethylsilylanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]carbamate
CID 140781462
N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
CID 124684501
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide?
The IUPAC name of N-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide (CID 140781326) is N-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide.
What is the SMILES notation for N-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide?
The canonical SMILES for N-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide is COCc1ccc(C(NC(=O)Cn2ncc3ccccc32)C(=O)Nc2cc(F)c([Si](C)(C)C)cc2F)cc1.
What is the InChIKey of N-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide?
The InChIKey is XJDQELJJEWKINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N4O3Si/c1-37-17-18-9-11-19(12-10-18)27(33-26(35)16-34-24-8-6-5-7-20(24)15-31-34)28(36)32-23-13-22(30)25(14-21(23)29)38(2,3)4/h5-15,27H,16-17H2,1-4H3,(H,32,36)(H,33,35).
What are the key properties of N-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide?
N-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide has a molecular weight of 536.66 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide is sourced from PubChem (CID 140781326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).