2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide

C19H12F7N3O2 — CID 162541480

IUPAC2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide
SMILESNC(=O)c1ccc2[nH]c(C(=O)NC(c3ccc(F)c(C(F)(F)F)c3)C(F)(F)F)cc2c1
InChIInChI=1S/C19H12F7N3O2/c20-12-3-1-8(6-11(12)18(21,22)23)15(19(24,25)26)29-17(31)14-7-10-5-9(16(27)30)2-4-13(10)28-14/h1-7,15,28H,(H2,27,30)(H,29,31)
InChIKeyQFIZRXRPQHUVIC-UHFFFAOYSA-N
MW447.31 g/mol
LogP4.46
Rot. Bonds4

About 2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide

2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide (PubChem CID 162541480) has the molecular formula C19H12F7N3O2 and a molecular weight of 447.31 g/mol. Its IUPAC name is 2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide
PubChem CID162541480
Molecular FormulaC19H12F7N3O2
Molecular Weight447.31 g/mol
Exact Mass447.08
IUPAC Name2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide
SMILESNC(=O)c1ccc2[nH]c(C(=O)NC(c3ccc(F)c(C(F)(F)F)c3)C(F)(F)F)cc2c1
InChIInChI=1S/C19H12F7N3O2/c20-12-3-1-8(6-11(12)18(21,22)23)15(19(24,25)26)29-17(31)14-7-10-5-9(16(27)30)2-4-13(10)28-14/h1-7,15,28H,(H2,27,30)(H,29,31)
InChIKeyQFIZRXRPQHUVIC-UHFFFAOYSA-N
XLogP4.46
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.31
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide?
The IUPAC name of 2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide (CID 162541480) is 2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide?
The canonical SMILES for 2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide is NC(=O)c1ccc2[nH]c(C(=O)NC(c3ccc(F)c(C(F)(F)F)c3)C(F)(F)F)cc2c1.
What is the InChIKey of 2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide?
The InChIKey is QFIZRXRPQHUVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F7N3O2/c20-12-3-1-8(6-11(12)18(21,22)23)15(19(24,25)26)29-17(31)14-7-10-5-9(16(27)30)2-4-13(10)28-14/h1-7,15,28H,(H2,27,30)(H,29,31).
What are the key properties of 2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide?
2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide has a molecular weight of 447.31 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide is sourced from PubChem (CID 162541480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).