N-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide

C22H25F3N2O2 — CID 4141947

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
SMILESCOCCN(CCCN1CCc2ccccc21)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H25F3N2O2/c1-29-15-14-27(21(28)18-7-4-8-19(16-18)22(23,24)25)12-5-11-26-13-10-17-6-2-3-9-20(17)26/h2-4,6-9,16H,5,10-15H2,1H3
InChIKeyOXUGKKHYMNQQIF-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.25
Rot. Bonds8

About N-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide

N-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide (PubChem CID 4141947) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
PubChem CID4141947
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
SMILESCOCCN(CCCN1CCc2ccccc21)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H25F3N2O2/c1-29-15-14-27(21(28)18-7-4-8-19(16-18)22(23,24)25)12-5-11-26-13-10-17-6-2-3-9-20(17)26/h2-4,6-9,16H,5,10-15H2,1H3
InChIKeyOXUGKKHYMNQQIF-UHFFFAOYSA-N
XLogP4.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide (CID 4141947) is N-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide is COCCN(CCCN1CCc2ccccc21)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is OXUGKKHYMNQQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c1-29-15-14-27(21(28)18-7-4-8-19(16-18)22(23,24)25)12-5-11-26-13-10-17-6-2-3-9-20(17)26/h2-4,6-9,16H,5,10-15H2,1H3.
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 406.45 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 4141947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).