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

C20H21F3N2O3 — CID 86729182

IUPAC2-methoxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide
SMILESCOC1=C(C(=O)N[C@@H]2CCc3ccc(C(F)(F)F)cc32)C2CCCCN2C1=O
InChIInChI=1S/C20H21F3N2O3/c1-28-17-16(15-4-2-3-9-25(15)19(17)27)18(26)24-14-8-6-11-5-7-12(10-13(11)14)20(21,22)23/h5,7,10,14-15H,2-4,6,8-9H2,1H3,(H,24,26)/t14-,15?/m1/s1
InChIKeyLLMJVRDYVKZRBY-GICMACPYSA-N
MW394.39 g/mol
LogP3.10
Rot. Bonds3

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

2-methoxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide (PubChem CID 86729182) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-methoxy-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 Name2-methoxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide
PubChem CID86729182
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name2-methoxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide
SMILESCOC1=C(C(=O)N[C@@H]2CCc3ccc(C(F)(F)F)cc32)C2CCCCN2C1=O
InChIInChI=1S/C20H21F3N2O3/c1-28-17-16(15-4-2-3-9-25(15)19(17)27)18(26)24-14-8-6-11-5-7-12(10-13(11)14)20(21,22)23/h5,7,10,14-15H,2-4,6,8-9H2,1H3,(H,24,26)/t14-,15?/m1/s1
InChIKeyLLMJVRDYVKZRBY-GICMACPYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-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-methoxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide (CID 86729182) is 2-methoxy-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-methoxy-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-methoxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide is COC1=C(C(=O)N[C@@H]2CCc3ccc(C(F)(F)F)cc32)C2CCCCN2C1=O.
What is the InChIKey of 2-methoxy-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 LLMJVRDYVKZRBY-GICMACPYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-28-17-16(15-4-2-3-9-25(15)19(17)27)18(26)24-14-8-6-11-5-7-12(10-13(11)14)20(21,22)23/h5,7,10,14-15H,2-4,6,8-9H2,1H3,(H,24,26)/t14-,15?/m1/s1.
What are the key properties of 2-methoxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide?
2-methoxy-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 394.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-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 86729182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).