2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide

C20H18F3N5O — CID 42913349

IUPAC2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC1Cc2ccccc2N1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1
InChIInChI=1S/C20H18F3N5O/c1-13-8-14-4-2-3-5-17(14)27(13)10-19(29)26-16-9-15(20(21,22)23)6-7-18(16)28-12-24-11-25-28/h2-7,9,11-13H,8,10H2,1H3,(H,26,29)
InChIKeyONUQUGBKVXUAAM-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.68
Rot. Bonds4

About 2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide

2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 42913349) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID42913349
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC1Cc2ccccc2N1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1
InChIInChI=1S/C20H18F3N5O/c1-13-8-14-4-2-3-5-17(14)27(13)10-19(29)26-16-9-15(20(21,22)23)6-7-18(16)28-12-24-11-25-28/h2-7,9,11-13H,8,10H2,1H3,(H,26,29)
InChIKeyONUQUGBKVXUAAM-UHFFFAOYSA-N
XLogP3.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide (CID 42913349) is 2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide is CC1Cc2ccccc2N1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ONUQUGBKVXUAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c1-13-8-14-4-2-3-5-17(14)27(13)10-19(29)26-16-9-15(20(21,22)23)6-7-18(16)28-12-24-11-25-28/h2-7,9,11-13H,8,10H2,1H3,(H,26,29).
What are the key properties of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 401.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 42913349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).