trimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate

C17H19Cl2NO2Si — CID 618075

IUPACtrimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate
SMILESCc1cc(Cl)c(Nc2ccccc2C(=O)O[Si](C)(C)C)c(Cl)c1
InChIInChI=1S/C17H19Cl2NO2Si/c1-11-9-13(18)16(14(19)10-11)20-15-8-6-5-7-12(15)17(21)22-23(2,3)4/h5-10,20H,1-4H3
InChIKeyZDKAISAWAFKTTJ-UHFFFAOYSA-N
MW368.34 g/mol
LogP6.04
Rot. Bonds4

About trimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate

trimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate (PubChem CID 618075) has the molecular formula C17H19Cl2NO2Si and a molecular weight of 368.34 g/mol. Its IUPAC name is trimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate.

Molecular Properties

Compound Nametrimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate
PubChem CID618075
Molecular FormulaC17H19Cl2NO2Si
Molecular Weight368.34 g/mol
Exact Mass367.06
IUPAC Nametrimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate
SMILESCc1cc(Cl)c(Nc2ccccc2C(=O)O[Si](C)(C)C)c(Cl)c1
InChIInChI=1S/C17H19Cl2NO2Si/c1-11-9-13(18)16(14(19)10-11)20-15-8-6-5-7-12(15)17(21)22-23(2,3)4/h5-10,20H,1-4H3
InChIKeyZDKAISAWAFKTTJ-UHFFFAOYSA-N
XLogP6.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.34
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl 2-methylbenzoate
CID 577266
ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate
CID 108991922
trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 91719281
2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid
CID 138393314
potassium 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate
CID 153457714
trimethylsilyl 2-trimethylsilylbenzoate
CID 14439390
N-methyl-2-(2,4,6-trimethylanilino)benzamide
CID 67997088
2-(3,6-dichloro-2-methylanilino)benzoic acid
CID 76852316
2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid
CID 19842359
2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid
CID 14389786
bis[[2-(3-chloro-2-methylanilino)benzoyl]oxy]bismuthanyl 2-(3-chloro-2-methylanilino)benzoate
CID 140564358
sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide
CID 162189130

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate?
The IUPAC name of trimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate (CID 618075) is trimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate.
What is the SMILES notation for trimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate?
The canonical SMILES for trimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate is Cc1cc(Cl)c(Nc2ccccc2C(=O)O[Si](C)(C)C)c(Cl)c1.
What is the InChIKey of trimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate?
The InChIKey is ZDKAISAWAFKTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2Si/c1-11-9-13(18)16(14(19)10-11)20-15-8-6-5-7-12(15)17(21)22-23(2,3)4/h5-10,20H,1-4H3.
What are the key properties of trimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate?
trimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate has a molecular weight of 368.34 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate is sourced from PubChem (CID 618075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).