methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate

C21H17F3N2O5 — CID 21380599

IUPACmethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3ccc(OC)cc3)c2c1
InChIInChI=1S/C21H17F3N2O5/c1-30-14-6-4-13(5-7-14)25-18(27)11-26-10-16(19(28)21(22,23)24)15-8-3-12(9-17(15)26)20(29)31-2/h3-10H,11H2,1-2H3,(H,25,27)
InChIKeyKILWMZIVEALTJP-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.82
Rot. Bonds6

About methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate

methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate (PubChem CID 21380599) has the molecular formula C21H17F3N2O5 and a molecular weight of 434.37 g/mol. Its IUPAC name is methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate
PubChem CID21380599
Molecular FormulaC21H17F3N2O5
Molecular Weight434.37 g/mol
Exact Mass434.11
IUPAC Namemethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3ccc(OC)cc3)c2c1
InChIInChI=1S/C21H17F3N2O5/c1-30-14-6-4-13(5-7-14)25-18(27)11-26-10-16(19(28)21(22,23)24)15-8-3-12(9-17(15)26)20(29)31-2/h3-10H,11H2,1-2H3,(H,25,27)
InChIKeyKILWMZIVEALTJP-UHFFFAOYSA-N
XLogP3.82
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate with MolForge

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Related Compounds

methyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate
CID 2194489
methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
CID 29135985
methyl 1-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate
CID 21380621
2-(3-acetylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1088565
N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000775
2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20868848
2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 2194518
2-[6-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53000689
2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 18560102
methyl 1-[2-[4-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]indole-3-carboxylate
CID 46553810
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
methyl 1-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]indole-3-carboxylate
CID 46553530

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate?
The IUPAC name of methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate (CID 21380599) is methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate?
The canonical SMILES for methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate is COC(=O)c1ccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3ccc(OC)cc3)c2c1.
What is the InChIKey of methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate?
The InChIKey is KILWMZIVEALTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O5/c1-30-14-6-4-13(5-7-14)25-18(27)11-26-10-16(19(28)21(22,23)24)15-8-3-12(9-17(15)26)20(29)31-2/h3-10H,11H2,1-2H3,(H,25,27).
What are the key properties of methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate?
methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate has a molecular weight of 434.37 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate is sourced from PubChem (CID 21380599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).