2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide

C10H7F3N2O — CID 110470939

IUPAC2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
SMILESO=C(Nc1cccc2[nH]ccc12)C(F)(F)F
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)9(16)15-8-3-1-2-7-6(8)4-5-14-7/h1-5,14H,(H,15,16)
InChIKeyUVJRNMAUBMCNDA-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.67
Rot. Bonds1

About 2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide

2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide (PubChem CID 110470939) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
PubChem CID110470939
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
SMILESO=C(Nc1cccc2[nH]ccc12)C(F)(F)F
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)9(16)15-8-3-1-2-7-6(8)4-5-14-7/h1-5,14H,(H,15,16)
InChIKeyUVJRNMAUBMCNDA-UHFFFAOYSA-N
XLogP2.67
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide
CID 110473243
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
2-fluoro-N-(1H-indol-4-yl)benzamide
CID 110730909
propane;N-prop-1-en-2-yl-1H-indol-4-amine
CID 143997760
1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 10066394
hydron;N-(1H-indol-4-yl)formamide
CID 174907409
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
1-cyclohexyl-3-(1H-indol-4-yl)urea
CID 110748828
N-(1H-indol-4-yl)-2-oxo-2-piperidin-1-ylacetamide
CID 45493554
N-(1H-indol-4-yl)-1H-indole-7-carboxamide
CID 112526402

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide (CID 110470939) is 2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide is O=C(Nc1cccc2[nH]ccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide?
The InChIKey is UVJRNMAUBMCNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)9(16)15-8-3-1-2-7-6(8)4-5-14-7/h1-5,14H,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide?
2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide has a molecular weight of 228.17 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide is sourced from PubChem (CID 110470939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).