4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide

C17H13F3N2O — CID 156773624

IUPAC4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]ccc2c1C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)15(10-4-2-1-3-5-10)14-11-8-9-22-13(11)7-6-12(14)16(21)23/h1-9,15,22H,(H2,21,23)
InChIKeyGZVGOMMLLFRAEL-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.96
Rot. Bonds3

About 4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide

4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide (PubChem CID 156773624) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide
PubChem CID156773624
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]ccc2c1C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)15(10-4-2-1-3-5-10)14-11-8-9-22-13(11)7-6-12(14)16(21)23/h1-9,15,22H,(H2,21,23)
InChIKeyGZVGOMMLLFRAEL-UHFFFAOYSA-N
XLogP3.96
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide?
The IUPAC name of 4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide (CID 156773624) is 4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide?
The canonical SMILES for 4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide is NC(=O)c1ccc2[nH]ccc2c1C(c1ccccc1)C(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide?
The InChIKey is GZVGOMMLLFRAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)15(10-4-2-1-3-5-10)14-11-8-9-22-13(11)7-6-12(14)16(21)23/h1-9,15,22H,(H2,21,23).
What are the key properties of 4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide?
4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoro-1-phenylethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 156773624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).