methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate

C20H19F3N2O3 — CID 19796739

IUPACmethyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate
SMILESCOC(=O)C(c1c[nH]c2ccc(OC)cc12)N(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O3/c1-25(13-6-4-5-12(9-13)20(21,22)23)18(19(26)28-3)16-11-24-17-8-7-14(27-2)10-15(16)17/h4-11,18,24H,1-3H3
InChIKeyQSZIWNQAEDFGAG-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.55
Rot. Bonds5

About methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate

methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate (PubChem CID 19796739) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate
PubChem CID19796739
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Namemethyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate
SMILESCOC(=O)C(c1c[nH]c2ccc(OC)cc12)N(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O3/c1-25(13-6-4-5-12(9-13)20(21,22)23)18(19(26)28-3)16-11-24-17-8-7-14(27-2)10-15(16)17/h4-11,18,24H,1-3H3
InChIKeyQSZIWNQAEDFGAG-UHFFFAOYSA-N
XLogP4.55
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 75365778
N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 83284963
3-(5-methoxy-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 91635014
2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 70356145
2-(dimethylamino)-2-(5-methoxy-1H-indol-3-yl)ethanethioamide
CID 84749835
(2R)-3,3,3-trifluoro-2-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 98042413
(1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanol
CID 2025636
N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline
CID 57379324
ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
CID 54293659
methyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;hydrochloride
CID 171239452
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 166485207
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate?
The IUPAC name of methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate (CID 19796739) is methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate.
What is the SMILES notation for methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate?
The canonical SMILES for methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate is COC(=O)C(c1c[nH]c2ccc(OC)cc12)N(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate?
The InChIKey is QSZIWNQAEDFGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-25(13-6-4-5-12(9-13)20(21,22)23)18(19(26)28-3)16-11-24-17-8-7-14(27-2)10-15(16)17/h4-11,18,24H,1-3H3.
What are the key properties of methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate?
methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate has a molecular weight of 392.38 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate is sourced from PubChem (CID 19796739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).