2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide

C19H19F3N2O3 — CID 123537049

IUPAC2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide
SMILESO=C(NC1CCc2ccc(C(F)(F)F)cc21)C1C(=O)C(=O)N2CCCCC12
InChIInChI=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/h4,6,9,13-15H,1-3,5,7-8H2,(H,23,26)
InChIKeyUJYAVOGPVOLTQC-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.39
Rot. Bonds2

About 2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide

2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide (PubChem CID 123537049) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide.

Molecular Properties

Compound Name2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide
PubChem CID123537049
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide
SMILESO=C(NC1CCc2ccc(C(F)(F)F)cc21)C1C(=O)C(=O)N2CCCCC12
InChIInChI=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/h4,6,9,13-15H,1-3,5,7-8H2,(H,23,26)
InChIKeyUJYAVOGPVOLTQC-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
CID 89491077
4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
CID 122691642
(3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95614498
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 56782269
N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
CID 67716553
(3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798644
methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66805415
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9192383
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
(1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 98289017
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693551
N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]-2,4-bis(trifluoromethyl)benzamide
CID 58063002

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide?
The IUPAC name of 2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide (CID 123537049) is 2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide.
What is the SMILES notation for 2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide?
The canonical SMILES for 2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide is O=C(NC1CCc2ccc(C(F)(F)F)cc21)C1C(=O)C(=O)N2CCCCC12.
What is the InChIKey of 2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide?
The InChIKey is UJYAVOGPVOLTQC-UHFFFAOYSA-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/h4,6,9,13-15H,1-3,5,7-8H2,(H,23,26).
What are the key properties of 2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide?
2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide is sourced from PubChem (CID 123537049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).