N-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

C25H21F3N2O2 — CID 58986327

IUPACN-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCc1c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c2ccc(O)cc2n1-c1ccccc1
InChIInChI=1S/C25H21F3N2O2/c1-2-21-24(29-23(32)14-16-8-10-17(11-9-16)25(26,27)28)20-13-12-19(31)15-22(20)30(21)18-6-4-3-5-7-18/h3-13,15,31H,2,14H2,1H3,(H,29,32)
InChIKeyXRCWBLMAAFJZDA-UHFFFAOYSA-N
MW438.45 g/mol
LogP6.10
Rot. Bonds5

About N-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 58986327) has the molecular formula C25H21F3N2O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID58986327
Molecular FormulaC25H21F3N2O2
Molecular Weight438.45 g/mol
Exact Mass438.16
IUPAC NameN-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCc1c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c2ccc(O)cc2n1-c1ccccc1
InChIInChI=1S/C25H21F3N2O2/c1-2-21-24(29-23(32)14-16-8-10-17(11-9-16)25(26,27)28)20-13-12-19(31)15-22(20)30(21)18-6-4-3-5-7-18/h3-13,15,31H,2,14H2,1H3,(H,29,32)
InChIKeyXRCWBLMAAFJZDA-UHFFFAOYSA-N
XLogP6.10
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide
CID 10667175
(6-hydroxy-1H-indole-2-yl)-[4-(4-methylbenzyl)-piperidine-1-yl]-methanone
CID 16110216
(2-(3-fluoro-2-methylbenzyl)-6-hydroxy-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone
CID 52946997
6-hydroxy-2-methyl-1-(phenylmethyl)-1H-indole-3-acetamide
CID 10565732
N-(1-Acetyl-1h-Indol-3-Yl)-N-(5-Hydroxy-2-Methylphenyl)-3-(Trifluoromethyl)benzamide
CID 91971269
1-Benzyl-N-(3,4-difluorobenzyl)-6-hydroxy-2-isopropyl-1H-indole-3-carboxamide
CID 25160740
N-(3-hydroxyphenyl)-2-(1H-indol-2-yl)acetamide
CID 168279650
[2-[(3-Fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-6-hydroxyindol-3-yl]-piperazin-1-ylmethanone
CID 58147508
1-(3-Benzyl-2-ethyl-6-hydroxyindol-1-yl)-3-(3,4-difluorophenyl)propan-1-one
CID 58507512
N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide
CID 59762274
N-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide
CID 59881684
8-[acetyl-[1-benzyl-2-(4-fluorophenyl)-5-hydroxyindol-3-yl]amino]-N-butyl-N-methyloctanamide
CID 67650256

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 58986327) is N-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is CCc1c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c2ccc(O)cc2n1-c1ccccc1.
What is the InChIKey of N-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XRCWBLMAAFJZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O2/c1-2-21-24(29-23(32)14-16-8-10-17(11-9-16)25(26,27)28)20-13-12-19(31)15-22(20)30(21)18-6-4-3-5-7-18/h3-13,15,31H,2,14H2,1H3,(H,29,32).
What are the key properties of N-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 438.45 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 58986327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).