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

C19H18F6N2O3 — CID 89480381

IUPAC4-ethoxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
SMILESCCOC1=C(C(=O)N[C@@H]2CCc3ccc(C(F)(F)F)cc32)CN(CC(F)(F)F)C1=O
InChIInChI=1S/C19H18F6N2O3/c1-2-30-15-13(8-27(17(15)29)9-18(20,21)22)16(28)26-14-6-4-10-3-5-11(7-12(10)14)19(23,24)25/h3,5,7,14H,2,4,6,8-9H2,1H3,(H,26,28)/t14-/m1/s1
InChIKeyFXIVTGBGHFAKGU-CQSZACIVSA-N
MW436.35 g/mol
LogP3.50
Rot. Bonds5

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

4-ethoxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide (PubChem CID 89480381) has the molecular formula C19H18F6N2O3 and a molecular weight of 436.35 g/mol. Its IUPAC name is 4-ethoxy-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-ethoxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
PubChem CID89480381
Molecular FormulaC19H18F6N2O3
Molecular Weight436.35 g/mol
Exact Mass436.12
IUPAC Name4-ethoxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
SMILESCCOC1=C(C(=O)N[C@@H]2CCc3ccc(C(F)(F)F)cc32)CN(CC(F)(F)F)C1=O
InChIInChI=1S/C19H18F6N2O3/c1-2-30-15-13(8-27(17(15)29)9-18(20,21)22)16(28)26-14-6-4-10-3-5-11(7-12(10)14)19(23,24)25/h3,5,7,14H,2,4,6,8-9H2,1H3,(H,26,28)/t14-/m1/s1
InChIKeyFXIVTGBGHFAKGU-CQSZACIVSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethoxy-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-ethoxy-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-ethoxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide (CID 89480381) is 4-ethoxy-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-ethoxy-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-ethoxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide is CCOC1=C(C(=O)N[C@@H]2CCc3ccc(C(F)(F)F)cc32)CN(CC(F)(F)F)C1=O.
What is the InChIKey of 4-ethoxy-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 FXIVTGBGHFAKGU-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18F6N2O3/c1-2-30-15-13(8-27(17(15)29)9-18(20,21)22)16(28)26-14-6-4-10-3-5-11(7-12(10)14)19(23,24)25/h3,5,7,14H,2,4,6,8-9H2,1H3,(H,26,28)/t14-/m1/s1.
What are the key properties of 4-ethoxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
4-ethoxy-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 436.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-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 89480381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).