2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide

C18H19ClN2OSi — CID 59020997

IUPAC2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide
SMILESC[Si](C)(C)C#Cc1ccc(N)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2OSi/c1-23(2,3)11-10-13-4-9-17(20)16(12-13)18(22)21-15-7-5-14(19)6-8-15/h4-9,12H,20H2,1-3H3,(H,21,22)
InChIKeyUZFBWVOFXWVDPA-UHFFFAOYSA-N
MW342.90 g/mol
LogP4.40
Rot. Bonds2

About 2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide

2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide (PubChem CID 59020997) has the molecular formula C18H19ClN2OSi and a molecular weight of 342.90 g/mol. Its IUPAC name is 2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide
PubChem CID59020997
Molecular FormulaC18H19ClN2OSi
Molecular Weight342.90 g/mol
Exact Mass342.10
IUPAC Name2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide
SMILESC[Si](C)(C)C#Cc1ccc(N)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2OSi/c1-23(2,3)11-10-13-4-9-17(20)16(12-13)18(22)21-15-7-5-14(19)6-8-15/h4-9,12H,20H2,1-3H3,(H,21,22)
InChIKeyUZFBWVOFXWVDPA-UHFFFAOYSA-N
XLogP4.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.90
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide
CID 59020763
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
2-amino-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
2-amino-5-chloro-N-pyridin-4-ylbenzamide
CID 16770582
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide
CID 107786836
2-amino-N-(4-butylphenyl)-5-chlorobenzamide
CID 43378411
N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide
CID 82881267
3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane
CID 142869645
[4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone
CID 67314508

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide?
The IUPAC name of 2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide (CID 59020997) is 2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide.
What is the SMILES notation for 2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide?
The canonical SMILES for 2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide is C[Si](C)(C)C#Cc1ccc(N)c(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide?
The InChIKey is UZFBWVOFXWVDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OSi/c1-23(2,3)11-10-13-4-9-17(20)16(12-13)18(22)21-15-7-5-14(19)6-8-15/h4-9,12H,20H2,1-3H3,(H,21,22).
What are the key properties of 2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide?
2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide has a molecular weight of 342.90 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide is sourced from PubChem (CID 59020997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).