2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C17H19F3N2O2 — CID 90554666

IUPAC2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)11-22(13-5-7-24-8-6-13)16(23)9-12-10-21-15-4-2-1-3-14(12)15/h1-4,10,13,21H,5-9,11H2
InChIKeyHMMZSQYILUKGEL-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.28
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 90554666) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID90554666
Molecular FormulaC17H19F3N2O2
Molecular Weight340.34 g/mol
Exact Mass340.14
IUPAC Name2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)11-22(13-5-7-24-8-6-13)16(23)9-12-10-21-15-4-2-1-3-14(12)15/h1-4,10,13,21H,5-9,11H2
InChIKeyHMMZSQYILUKGEL-UHFFFAOYSA-N
XLogP3.28
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796110
N-ethyl-2-(1H-indol-3-yl)-N-pyrrolidin-3-ylacetamide
CID 63299295
2-(1H-indol-3-yl)-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanone
CID 56789126
2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid
CID 136515838
N-cyclopropyl-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46124380
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 33078129
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796129
2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid
CID 43655190
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
1-cyclopentyl-2-(1H-indol-3-yl)ethanone
CID 126509630

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 90554666) is 2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cc1c[nH]c2ccccc12)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HMMZSQYILUKGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c18-17(19,20)11-22(13-5-7-24-8-6-13)16(23)9-12-10-21-15-4-2-1-3-14(12)15/h1-4,10,13,21H,5-9,11H2.
What are the key properties of 2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 340.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 90554666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).