4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide

C17H14F6N2O3 — CID 89480277

IUPAC4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
SMILESO=C(N[C@@H]1CCc2ccc(C(F)(F)F)cc21)C1=C(O)C(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C17H14F6N2O3/c18-16(19,20)7-25-6-11(13(26)15(25)28)14(27)24-12-4-2-8-1-3-9(5-10(8)12)17(21,22)23/h1,3,5,12,26H,2,4,6-7H2,(H,24,27)/t12-/m1/s1
InChIKeyGTZWROZJOASBMJ-GFCCVEGCSA-N
MW408.30 g/mol
LogP3.03
Rot. Bonds3

About 4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide

4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide (PubChem CID 89480277) has the molecular formula C17H14F6N2O3 and a molecular weight of 408.30 g/mol. Its IUPAC name is 4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
PubChem CID89480277
Molecular FormulaC17H14F6N2O3
Molecular Weight408.30 g/mol
Exact Mass408.09
IUPAC Name4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
SMILESO=C(N[C@@H]1CCc2ccc(C(F)(F)F)cc21)C1=C(O)C(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C17H14F6N2O3/c18-16(19,20)7-25-6-11(13(26)15(25)28)14(27)24-12-4-2-8-1-3-9(5-10(8)12)17(21,22)23/h1,3,5,12,26H,2,4,6-7H2,(H,24,27)/t12-/m1/s1
InChIKeyGTZWROZJOASBMJ-GFCCVEGCSA-N
XLogP3.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide (CID 89480277) is 4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide is O=C(N[C@@H]1CCc2ccc(C(F)(F)F)cc21)C1=C(O)C(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
The InChIKey is GTZWROZJOASBMJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H14F6N2O3/c18-16(19,20)7-25-6-11(13(26)15(25)28)14(27)24-12-4-2-8-1-3-9(5-10(8)12)17(21,22)23/h1,3,5,12,26H,2,4,6-7H2,(H,24,27)/t12-/m1/s1.
What are the key properties of 4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide has a molecular weight of 408.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 89480277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).