2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C17H13F3N2O2 — CID 141490327

IUPAC2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cn(O)c2ccccc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)13-6-2-3-7-14(13)21-16(23)9-11-10-22(24)15-8-4-1-5-12(11)15/h1-8,10,24H,9H2,(H,21,23)
InChIKeyYCJXUBZDAFBNQI-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.08
Rot. Bonds3

About 2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 141490327) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID141490327
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cn(O)c2ccccc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)13-6-2-3-7-14(13)21-16(23)9-11-10-22(24)15-8-4-1-5-12(11)15/h1-8,10,24H,9H2,(H,21,23)
InChIKeyYCJXUBZDAFBNQI-UHFFFAOYSA-N
XLogP4.08
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetic acid
CID 91659625
2-(4-phenylphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26087747
N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945471
N-(2-ethylphenyl)-2-(1-methylindol-3-yl)acetamide
CID 4523543
2-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110696997
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945642
N,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide
CID 20902356
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide
CID 91759481

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 141490327) is 2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cn(O)c2ccccc12)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YCJXUBZDAFBNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)13-6-2-3-7-14(13)21-16(23)9-11-10-22(24)15-8-4-1-5-12(11)15/h1-8,10,24H,9H2,(H,21,23).
What are the key properties of 2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 334.30 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 141490327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).