(2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide

C18H22F2N2O2Si — CID 125465615

IUPAC(2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc([C@H](N)C(=O)Nc2cc(F)c([Si](C)(C)C)cc2F)cc1
InChIInChI=1S/C18H22F2N2O2Si/c1-24-12-7-5-11(6-8-12)17(21)18(23)22-15-9-14(20)16(10-13(15)19)25(2,3)4/h5-10,17H,21H2,1-4H3,(H,22,23)/t17-/m0/s1
InChIKeyBFTBCSSQJVPZOE-KRWDZBQOSA-N
MW364.47 g/mol
LogP3.16
Rot. Bonds5

About (2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide

(2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 125465615) has the molecular formula C18H22F2N2O2Si and a molecular weight of 364.47 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide
PubChem CID125465615
Molecular FormulaC18H22F2N2O2Si
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name(2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc([C@H](N)C(=O)Nc2cc(F)c([Si](C)(C)C)cc2F)cc1
InChIInChI=1S/C18H22F2N2O2Si/c1-24-12-7-5-11(6-8-12)17(21)18(23)22-15-9-14(20)16(10-13(15)19)25(2,3)4/h5-10,17H,21H2,1-4H3,(H,22,23)/t17-/m0/s1
InChIKeyBFTBCSSQJVPZOE-KRWDZBQOSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of (2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide (CID 125465615) is (2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for (2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for (2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide is COc1ccc([C@H](N)C(=O)Nc2cc(F)c([Si](C)(C)C)cc2F)cc1.
What is the InChIKey of (2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is BFTBCSSQJVPZOE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22F2N2O2Si/c1-24-12-7-5-11(6-8-12)17(21)18(23)22-15-9-14(20)16(10-13(15)19)25(2,3)4/h5-10,17H,21H2,1-4H3,(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide?
(2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 364.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 125465615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).