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

C20H18F6N2O2 — CID 71761302

IUPACN-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C20H18F6N2O2/c1-12(29)27-16-6-7-17-14(10-16)8-9-28(17)11-13-2-4-15(5-3-13)18(30,19(21,22)23)20(24,25)26/h2-7,10,30H,8-9,11H2,1H3,(H,27,29)
InChIKeyHYELCPCSWPDLEI-UHFFFAOYSA-N
MW432.36 g/mol
LogP4.52
Rot. Bonds4

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

N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide (PubChem CID 71761302) has the molecular formula C20H18F6N2O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
PubChem CID71761302
Molecular FormulaC20H18F6N2O2
Molecular Weight432.36 g/mol
Exact Mass432.13
IUPAC NameN-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C20H18F6N2O2/c1-12(29)27-16-6-7-17-14(10-16)8-9-28(17)11-13-2-4-15(5-3-13)18(30,19(21,22)23)20(24,25)26/h2-7,10,30H,8-9,11H2,1H3,(H,27,29)
InChIKeyHYELCPCSWPDLEI-UHFFFAOYSA-N
XLogP4.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 71811962
CID 71811962
N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
CID 71812140
N-(2,5-dimethylphenyl)-4-hydroxy-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
CID 54676959
2,2,2-Trifluoro-N-{2-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}acetamide
CID 2246142
6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
CID 14076672
1-Acetyl-3-{-2-[4-hydroxy-4-(alpha,alpha,alpha-trifluoro-p-tolyl)piperidino]ethyl}indoline
CID 21559960
2-[1-[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol
CID 22038061
4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide
CID 59552275
6-(2-hydroxypropan-2-yl)-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 68318635
6-[2-[[(1R)-1-hydroxycyclohexa-2,4-dien-1-yl]methyl]-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 68480591
6-[2-[(R)-hydroxy(phenyl)methyl]-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 68480594
6-[(2R,5R)-2-[[(1S)-1-hydroxycyclohexa-2,4-dien-1-yl]methyl]-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 68480595

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-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-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide (CID 71761302) is N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-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-hydroxypropan-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-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(O)(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-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The InChIKey is HYELCPCSWPDLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N2O2/c1-12(29)27-16-6-7-17-14(10-16)8-9-28(17)11-13-2-4-15(5-3-13)18(30,19(21,22)23)20(24,25)26/h2-7,10,30H,8-9,11H2,1H3,(H,27,29).
What are the key properties of N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide has a molecular weight of 432.36 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide is sourced from PubChem (CID 71761302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).