N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C16H17F3N2O3 — CID 51078113

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1Cc2ccccc2O1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)9-21-8-11(6-14(21)22)15(23)20-7-12-5-10-3-1-2-4-13(10)24-12/h1-4,11-12H,5-9H2,(H,20,23)
InChIKeyBFQWPZVTGCYNDB-UHFFFAOYSA-N
MW342.32 g/mol
LogP1.52
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 51078113) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID51078113
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1Cc2ccccc2O1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)9-21-8-11(6-14(21)22)15(23)20-7-12-5-10-3-1-2-4-13(10)24-12/h1-4,11-12H,5-9H2,(H,20,23)
InChIKeyBFQWPZVTGCYNDB-UHFFFAOYSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46401098
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924277
(3R)-N-[2-methyl-2-(2-methylphenyl)propyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 52843861
5-oxo-N-[(E)-3-phenylprop-2-enyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 75407299
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 120945140
(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119367466
(3S)-N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 35697948
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51154778
(3S)-5-oxo-N-(2-phenylpropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130133
(2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95132254
(3R)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130119
N-[[3-(dimethylamino)phenyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51100823

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 51078113) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(NCC1Cc2ccccc2O1)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is BFQWPZVTGCYNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c17-16(18,19)9-21-8-11(6-14(21)22)15(23)20-7-12-5-10-3-1-2-4-13(10)24-12/h1-4,11-12H,5-9H2,(H,20,23).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51078113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).