2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide

C21H22F2N2O2 — CID 599111

IUPAC2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide
SMILESCCc1cccc2c(CCNC(=O)COc3ccc(F)cc3F)c(C)[nH]c12
InChIInChI=1S/C21H22F2N2O2/c1-3-14-5-4-6-17-16(13(2)25-21(14)17)9-10-24-20(26)12-27-19-8-7-15(22)11-18(19)23/h4-8,11,25H,3,9-10,12H2,1-2H3,(H,24,26)
InChIKeyYZYDSXGJSSYZJX-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.05
Rot. Bonds7

About 2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide

2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 599111) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide
PubChem CID599111
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide
SMILESCCc1cccc2c(CCNC(=O)COc3ccc(F)cc3F)c(C)[nH]c12
InChIInChI=1S/C21H22F2N2O2/c1-3-14-5-4-6-17-16(13(2)25-21(14)17)9-10-24-20(26)12-27-19-8-7-15(22)11-18(19)23/h4-8,11,25H,3,9-10,12H2,1-2H3,(H,24,26)
InChIKeyYZYDSXGJSSYZJX-UHFFFAOYSA-N
XLogP4.05
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide (CID 599111) is 2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide is CCc1cccc2c(CCNC(=O)COc3ccc(F)cc3F)c(C)[nH]c12.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is YZYDSXGJSSYZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-3-14-5-4-6-17-16(13(2)25-21(14)17)9-10-24-20(26)12-27-19-8-7-15(22)11-18(19)23/h4-8,11,25H,3,9-10,12H2,1-2H3,(H,24,26).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide?
2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 372.42 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[2-(7-ethyl-2-methyl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 599111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).