N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide

C20H19F3N2O2 — CID 167467546

IUPACN-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ccc(CC(O)Cc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C20H19F3N2O2/c1-12(26)25-19-11-24-18-7-4-14(10-17(18)19)9-16(27)8-13-2-5-15(6-3-13)20(21,22)23/h2-7,10-11,16,24,27H,8-9H2,1H3,(H,25,26)
InChIKeyXMAFZPMJPZIKFO-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.29
Rot. Bonds5

About N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide

N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide (PubChem CID 167467546) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide
PubChem CID167467546
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC NameN-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ccc(CC(O)Cc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C20H19F3N2O2/c1-12(26)25-19-11-24-18-7-4-14(10-17(18)19)9-16(27)8-13-2-5-15(6-3-13)20(21,22)23/h2-7,10-11,16,24,27H,8-9H2,1H3,(H,25,26)
InChIKeyXMAFZPMJPZIKFO-UHFFFAOYSA-N
XLogP4.29
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide
CID 167468240
tert-butyl N-[5-(2-hydroxypropyl)-1H-indol-3-yl]carbamate
CID 167467699
trans-(1S,2S)-2-methyl-N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclopropane-1-carboxamide
CID 167467793
N-[5-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]oxy]-1H-indol-3-yl]acetamide
CID 167468115
1-[5-(1-propan-2-ylazet-1-ium-2-yl)-1H-indol-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 156720600
N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
CID 167467692
N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 167467575
N-[1-(3-ethylcyclobutyl)ethenyl]-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-3-amine
CID 167467934
1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167467668
3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167467588
(2R)-4-fluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide
CID 170059439
N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 167322945

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide?
The IUPAC name of N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide (CID 167467546) is N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide is CC(=O)Nc1c[nH]c2ccc(CC(O)Cc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide?
The InChIKey is XMAFZPMJPZIKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-12(26)25-19-11-24-18-7-4-14(10-17(18)19)9-16(27)8-13-2-5-15(6-3-13)20(21,22)23/h2-7,10-11,16,24,27H,8-9H2,1H3,(H,25,26).
What are the key properties of N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide?
N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide has a molecular weight of 376.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide is sourced from PubChem (CID 167467546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).