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

C21H20F6N2O — CID 118428793

IUPACN-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C21H20F6N2O/c1-13(30)28-17-7-8-18-15(11-17)9-10-29(18)12-14-3-5-16(6-4-14)19(2,20(22,23)24)21(25,26)27/h3-8,11H,9-10,12H2,1-2H3,(H,28,30)
InChIKeyWZMAGKCJXIBGGL-UHFFFAOYSA-N
MW430.39 g/mol
LogP5.59
Rot. Bonds4

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

N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide (PubChem CID 118428793) has the molecular formula C21H20F6N2O and a molecular weight of 430.39 g/mol. Its IUPAC name is N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
PubChem CID118428793
Molecular FormulaC21H20F6N2O
Molecular Weight430.39 g/mol
Exact Mass430.15
IUPAC NameN-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C21H20F6N2O/c1-13(30)28-17-7-8-18-15(11-17)9-10-29(18)12-14-3-5-16(6-4-14)19(2,20(22,23)24)21(25,26)27/h3-8,11H,9-10,12H2,1-2H3,(H,28,30)
InChIKeyWZMAGKCJXIBGGL-UHFFFAOYSA-N
XLogP5.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.39
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The IUPAC name of N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide (CID 118428793) is N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The canonical SMILES for N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The InChIKey is WZMAGKCJXIBGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N2O/c1-13(30)28-17-7-8-18-15(11-17)9-10-29(18)12-14-3-5-16(6-4-14)19(2,20(22,23)24)21(25,26)27/h3-8,11H,9-10,12H2,1-2H3,(H,28,30).
What are the key properties of N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide has a molecular weight of 430.39 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide is sourced from PubChem (CID 118428793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).