1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide

C21H20F2N2O3 — CID 166541415

IUPAC1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCc2ccccc21)C1CC(=O)N(c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C21H20F2N2O3/c22-21(23)28-16-6-3-5-15(11-16)25-12-14(10-19(25)26)20(27)24-18-9-8-13-4-1-2-7-17(13)18/h1-7,11,14,18,21H,8-10,12H2,(H,24,27)
InChIKeyASULBTVMZUGBKA-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.44
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide

1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 166541415) has the molecular formula C21H20F2N2O3 and a molecular weight of 386.40 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID166541415
Molecular FormulaC21H20F2N2O3
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCc2ccccc21)C1CC(=O)N(c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C21H20F2N2O3/c22-21(23)28-16-6-3-5-15(11-16)25-12-14(10-19(25)26)20(27)24-18-9-8-13-4-1-2-7-17(13)18/h1-7,11,14,18,21H,8-10,12H2,(H,24,27)
InChIKeyASULBTVMZUGBKA-UHFFFAOYSA-N
XLogP3.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 93017475
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 2641814
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 2555251
N-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 166541491
(3S)-1-(4-methoxyphenyl)-5-oxo-N-[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl]pyrrolidine-3-carboxamide
CID 41075984
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 71935425
(3R)-1-(1,3-benzodioxol-5-yl)-5-oxo-N-[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl]pyrrolidine-3-carboxamide
CID 41076221
N-(1-cyclopropylpiperidin-4-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46557750
(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 94348927
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide (CID 166541415) is 1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCc2ccccc21)C1CC(=O)N(c2cccc(OC(F)F)c2)C1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ASULBTVMZUGBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3/c22-21(23)28-16-6-3-5-15(11-16)25-12-14(10-19(25)26)20(27)24-18-9-8-13-4-1-2-7-17(13)18/h1-7,11,14,18,21H,8-10,12H2,(H,24,27).
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide?
1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166541415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).