N-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide

C19H19F3N2O — CID 175834541

IUPACN-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc21
InChIInChI=1S/C19H19F3N2O/c1-12(2)18(25)23-15-11-14(19(20,21)22)7-8-17(15)24-10-9-13-5-3-4-6-16(13)24/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)
InChIKeyMSEPRVQMCFDIJQ-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.99
Rot. Bonds3

About N-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide

N-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide (PubChem CID 175834541) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide
PubChem CID175834541
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc21
InChIInChI=1S/C19H19F3N2O/c1-12(2)18(25)23-15-11-14(19(20,21)22)7-8-17(15)24-10-9-13-5-3-4-6-16(13)24/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)
InChIKeyMSEPRVQMCFDIJQ-UHFFFAOYSA-N
XLogP4.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide (CID 175834541) is N-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide?
The InChIKey is MSEPRVQMCFDIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-12(2)18(25)23-15-11-14(19(20,21)22)7-8-17(15)24-10-9-13-5-3-4-6-16(13)24/h3-8,11-12H,9-10H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide?
N-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide has a molecular weight of 348.37 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 175834541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).