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

C18H15F3N2O — CID 167468240

IUPACN-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ccc(Cc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C18H15F3N2O/c1-11(24)23-17-10-22-16-7-4-13(9-15(16)17)8-12-2-5-14(6-3-12)18(19,20)21/h2-7,9-10,22H,8H2,1H3,(H,23,24)
InChIKeySTEMHPMIQGPKGL-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.74
Rot. Bonds3

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

N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide (PubChem CID 167468240) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide
PubChem CID167468240
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC NameN-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ccc(Cc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C18H15F3N2O/c1-11(24)23-17-10-22-16-7-4-13(9-15(16)17)8-12-2-5-14(6-3-12)18(19,20)21/h2-7,9-10,22H,8H2,1H3,(H,23,24)
InChIKeySTEMHPMIQGPKGL-UHFFFAOYSA-N
XLogP4.74
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide
CID 167467546
N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 162444728
N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
CID 167467692
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
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
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-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide
CID 167468036
3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167468164
4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide
CID 170059611

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide?
The IUPAC name of N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide (CID 167468240) is N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide is CC(=O)Nc1c[nH]c2ccc(Cc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide?
The InChIKey is STEMHPMIQGPKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-11(24)23-17-10-22-16-7-4-13(9-15(16)17)8-12-2-5-14(6-3-12)18(19,20)21/h2-7,9-10,22H,8H2,1H3,(H,23,24).
What are the key properties of N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide?
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide has a molecular weight of 332.33 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide is sourced from PubChem (CID 167468240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).