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

C20H17F3N2O3 — CID 2190763

IUPACN-(3-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)c1
InChIInChI=1S/C20H17F3N2O3/c1-12-18(19(27)20(21,22)23)15-8-3-4-9-16(15)25(12)11-17(26)24-13-6-5-7-14(10-13)28-2/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyIOJCCTUYTWWJJC-UHFFFAOYSA-N
MW390.36 g/mol
LogP4.34
Rot. Bonds5

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

N-(3-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide (PubChem CID 2190763) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
PubChem CID2190763
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC NameN-(3-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)c1
InChIInChI=1S/C20H17F3N2O3/c1-12-18(19(27)20(21,22)23)15-8-3-4-9-16(15)25(12)11-17(26)24-13-6-5-7-14(10-13)28-2/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyIOJCCTUYTWWJJC-UHFFFAOYSA-N
XLogP4.34
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide (CID 2190763) is N-(3-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide is COc1cccc(NC(=O)Cn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
The InChIKey is IOJCCTUYTWWJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-12-18(19(27)20(21,22)23)15-8-3-4-9-16(15)25(12)11-17(26)24-13-6-5-7-14(10-13)28-2/h3-10H,11H2,1-2H3,(H,24,26).
What are the key properties of N-(3-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
N-(3-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide has a molecular weight of 390.36 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide is sourced from PubChem (CID 2190763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).