2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

C19H20F3N3O — CID 55933255

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)NCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)16-5-2-8-24-18(16)25-10-9-23-17(26)12-13-6-7-14-3-1-4-15(14)11-13/h2,5-8,11H,1,3-4,9-10,12H2,(H,23,26)(H,24,25)
InChIKeyGEAFAGZUXDVZSW-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.36
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 55933255) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
PubChem CID55933255
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)NCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)16-5-2-8-24-18(16)25-10-9-23-17(26)12-13-6-7-14-3-1-4-15(14)11-13/h2,5-8,11H,1,3-4,9-10,12H2,(H,23,26)(H,24,25)
InChIKeyGEAFAGZUXDVZSW-UHFFFAOYSA-N
XLogP3.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (CID 55933255) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is O=C(Cc1ccc2c(c1)CCC2)NCCNc1ncccc1C(F)(F)F.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is GEAFAGZUXDVZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)16-5-2-8-24-18(16)25-10-9-23-17(26)12-13-6-7-14-3-1-4-15(14)11-13/h2,5-8,11H,1,3-4,9-10,12H2,(H,23,26)(H,24,25).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 363.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 55933255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).