2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide

C13H13F3N2O3 — CID 101098567

IUPAC2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CCNC(=O)C(F)(F)F)cn2O
InChIInChI=1S/C13H13F3N2O3/c1-21-9-2-3-11-10(6-9)8(7-18(11)20)4-5-17-12(19)13(14,15)16/h2-3,6-7,20H,4-5H2,1H3,(H,17,19)
InChIKeyFCHDRXFZJKPNMG-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.11
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide (PubChem CID 101098567) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide
PubChem CID101098567
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CCNC(=O)C(F)(F)F)cn2O
InChIInChI=1S/C13H13F3N2O3/c1-21-9-2-3-11-10(6-9)8(7-18(11)20)4-5-17-12(19)13(14,15)16/h2-3,6-7,20H,4-5H2,1H3,(H,17,19)
InChIKeyFCHDRXFZJKPNMG-UHFFFAOYSA-N
XLogP2.11
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide
CID 22292772
N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide
CID 86078316
N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide
CID 10926166
4-[5-methoxy-3-[2-(propanoylamino)ethyl]indol-1-yl]-4-oxobutanoic acid
CID 155529430
sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate
CID 162470818
N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide
CID 53465746
2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide
CID 18947290
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898107
N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
CID 14566888
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433
3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
CID 108934905

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide (CID 101098567) is 2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide is COc1ccc2c(c1)c(CCNC(=O)C(F)(F)F)cn2O.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide?
The InChIKey is FCHDRXFZJKPNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c1-21-9-2-3-11-10(6-9)8(7-18(11)20)4-5-17-12(19)13(14,15)16/h2-3,6-7,20H,4-5H2,1H3,(H,17,19).
What are the key properties of 2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide has a molecular weight of 302.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide is sourced from PubChem (CID 101098567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).