1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide

C21H19F3N2O3 — CID 46671621

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C21H19F3N2O3/c22-21(23,24)29-18-7-2-1-6-17(18)25-20(28)15-11-19(27)26(12-15)16-9-8-13-4-3-5-14(13)10-16/h1-2,6-10,15H,3-5,11-12H2,(H,25,28)
InChIKeyHKRAYEWLSPBCGH-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.07
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 46671621) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID46671621
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C21H19F3N2O3/c22-21(23,24)29-18-7-2-1-6-17(18)25-20(28)15-11-19(27)26(12-15)16-9-8-13-4-3-5-14(13)10-16/h1-2,6-10,15H,3-5,11-12H2,(H,25,28)
InChIKeyHKRAYEWLSPBCGH-UHFFFAOYSA-N
XLogP4.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 43059825
1-(2-bromophenyl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46587243
1-(2,3-dihydro-1H-inden-5-yl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586076
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 55678850
1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 146124051
1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55748710
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 167780443
1-(4-methylphenyl)-5-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55507499
1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 71935936

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide (CID 46671621) is 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)C1CC(=O)N(c2ccc3c(c2)CCC3)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is HKRAYEWLSPBCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c22-21(23,24)29-18-7-2-1-6-17(18)25-20(28)15-11-19(27)26(12-15)16-9-8-13-4-3-5-14(13)10-16/h1-2,6-10,15H,3-5,11-12H2,(H,25,28).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46671621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).