2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide

C21H19F3N2O3 — CID 2194518

IUPAC2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3cccc(OC)c3)c12
InChIInChI=1S/C21H19F3N2O3/c1-3-13-6-4-9-16-17(20(28)21(22,23)24)11-26(19(13)16)12-18(27)25-14-7-5-8-15(10-14)29-2/h4-11H,3,12H2,1-2H3,(H,25,27)
InChIKeyDAJFRSWBCCFFLI-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.60
Rot. Bonds6

About 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide

2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 2194518) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID2194518
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC Name2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3cccc(OC)c3)c12
InChIInChI=1S/C21H19F3N2O3/c1-3-13-6-4-9-16-17(20(28)21(22,23)24)11-26(19(13)16)12-18(27)25-14-7-5-8-15(10-14)29-2/h4-11H,3,12H2,1-2H3,(H,25,27)
InChIKeyDAJFRSWBCCFFLI-UHFFFAOYSA-N
XLogP4.60
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate
CID 21380599
2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 107017585
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226538
methyl 2-chloro-5-[[2-(7-ethyl-3-formylindol-1-yl)acetyl]amino]benzoate
CID 3510448
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108934640
2-(1-methoxyindol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 141490312
2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone
CID 3393871
2-[6-ethoxy-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 18560373
2-(3-ethylpentan-3-ylamino)-N-(3-methoxyphenyl)acetamide
CID 65038567
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692

Frequently Asked Questions

What is the IUPAC name of 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide (CID 2194518) is 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide is CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3cccc(OC)c3)c12.
What is the InChIKey of 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is DAJFRSWBCCFFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c1-3-13-6-4-9-16-17(20(28)21(22,23)24)11-26(19(13)16)12-18(27)25-14-7-5-8-15(10-14)29-2/h4-11H,3,12H2,1-2H3,(H,25,27).
What are the key properties of 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 404.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2194518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).