2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide

C19H17F3N2O2 — CID 10248072

IUPAC2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(CCNC(=O)C(F)(F)F)c2c1
InChIInChI=1S/C19H17F3N2O2/c1-26-13-7-8-16-15(11-13)14(9-10-23-18(25)19(20,21)22)17(24-16)12-5-3-2-4-6-12/h2-8,11,24H,9-10H2,1H3,(H,23,25)
InChIKeySQUTYNCSKUUFJM-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.06
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 10248072) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide
PubChem CID10248072
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(CCNC(=O)C(F)(F)F)c2c1
InChIInChI=1S/C19H17F3N2O2/c1-26-13-7-8-16-15(11-13)14(9-10-23-18(25)19(20,21)22)17(24-16)12-5-3-2-4-6-12/h2-8,11,24H,9-10H2,1H3,(H,23,25)
InChIKeySQUTYNCSKUUFJM-UHFFFAOYSA-N
XLogP4.06
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide (CID 10248072) is 2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide is COc1ccc2[nH]c(-c3ccccc3)c(CCNC(=O)C(F)(F)F)c2c1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is SQUTYNCSKUUFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-26-13-7-8-16-15(11-13)14(9-10-23-18(25)19(20,21)22)17(24-16)12-5-3-2-4-6-12/h2-8,11,24H,9-10H2,1H3,(H,23,25).
What are the key properties of 2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 362.35 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 10248072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).