2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide

C19H19F3N2O3 — CID 89480176

About 2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide

2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide (PubChem CID 89480176) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide.

Molecular Properties

• Compound Name: 2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide
• PubChem CID: 89480176
• Molecular Formula: C19H19F3N2O3
• Molecular Weight: 380.37 g/mol
• Exact Mass: 380.13
• IUPAC Name: 2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide
• SMILES: O=C(N[C@@H]1CCc2ccc(C(F)(F)F)cc21)C1=C(O)C(=O)N2CCCCC12
• InChI: InChI=1S/C19H19F3N2O3/c20-19(21,22)11-6-4-10-5-7-13(12(10)9-11)23-17(26)15-14-3-1-2-8-24(14)18(27)16(15)25/h4,6,9,13-14,25H,1-3,5,7-8H2,(H,23,26)/t13-,14?/m1/s1
• InChIKey: RBMGUQJQWXVWQK-KWCCSABGSA-N
• XLogP: 3.02
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.37
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide?

The IUPAC name of 2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide (CID 89480176) is 2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide.

What is the SMILES notation for 2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide?

The canonical SMILES for 2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide is O=C(N[C@@H]1CCc2ccc(C(F)(F)F)cc21)C1=C(O)C(=O)N2CCCCC12.

What is the InChIKey of 2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide?

The InChIKey is RBMGUQJQWXVWQK-KWCCSABGSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c20-19(21,22)11-6-4-10-5-7-13(12(10)9-11)23-17(26)15-14-3-1-2-8-24(14)18(27)16(15)25/h4,6,9,13-14,25H,1-3,5,7-8H2,(H,23,26)/t13-,14?/m1/s1.

What are the key properties of 2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide?

2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide is sourced from PubChem (CID 89480176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).