methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate

C22H24ClNO4Si — CID 587439

IUPACmethyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate
SMILESCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(O[Si](C)(C)C)cc12
InChIInChI=1S/C22H24ClNO4Si/c1-14-18(13-21(25)27-2)19-12-17(28-29(3,4)5)10-11-20(19)24(14)22(26)15-6-8-16(23)9-7-15/h6-12H,13H2,1-5H3
InChIKeySJRVBOUECWMUGH-UHFFFAOYSA-N
MW429.98 g/mol
LogP5.22
Rot. Bonds5

About methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate

methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate (PubChem CID 587439) has the molecular formula C22H24ClNO4Si and a molecular weight of 429.98 g/mol. Its IUPAC name is methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate
PubChem CID587439
Molecular FormulaC22H24ClNO4Si
Molecular Weight429.98 g/mol
Exact Mass429.12
IUPAC Namemethyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate
SMILESCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(O[Si](C)(C)C)cc12
InChIInChI=1S/C22H24ClNO4Si/c1-14-18(13-21(25)27-2)19-12-17(28-29(3,4)5)10-11-20(19)24(14)22(26)15-6-8-16(23)9-7-15/h6-12H,13H2,1-5H3
InChIKeySJRVBOUECWMUGH-UHFFFAOYSA-N
XLogP5.22
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.98
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194
methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-3-yl]acetate
CID 54580445
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
potassium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;trihydrate
CID 70587994
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methylsulfonylacetamide
CID 12658319
2-(dimethylamino)ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 12658356
zinc;bis(2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetate);dihydrate
CID 11848042
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 44713687
azane;bis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate);platinum(4+);dichloride
CID 86298531
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethylcarbamic acid
CID 66813186
4-hydroxybutan-2-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 129318639

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate?
The IUPAC name of methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate (CID 587439) is methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate is COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(O[Si](C)(C)C)cc12.
What is the InChIKey of methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate?
The InChIKey is SJRVBOUECWMUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO4Si/c1-14-18(13-21(25)27-2)19-12-17(28-29(3,4)5)10-11-20(19)24(14)22(26)15-6-8-16(23)9-7-15/h6-12H,13H2,1-5H3.
What are the key properties of methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate?
methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate has a molecular weight of 429.98 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate is sourced from PubChem (CID 587439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).