N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C28H21N3O3 — CID 2980638

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESN#Cc1c(NC(=O)C2CC(=O)N(c3ccccc3)C2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H21N3O3/c29-17-23-25(19-10-4-1-5-11-19)26(20-12-6-2-7-13-20)34-28(23)30-27(33)21-16-24(32)31(18-21)22-14-8-3-9-15-22/h1-15,21H,16,18H2,(H,30,33)
InChIKeyMDBQULVXILALOA-UHFFFAOYSA-N
MW447.49 g/mol
LogP5.48
Rot. Bonds5

About N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 2980638) has the molecular formula C28H21N3O3 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID2980638
Molecular FormulaC28H21N3O3
Molecular Weight447.49 g/mol
Exact Mass447.16
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESN#Cc1c(NC(=O)C2CC(=O)N(c3ccccc3)C2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H21N3O3/c29-17-23-25(19-10-4-1-5-11-19)26(20-12-6-2-7-13-20)34-28(23)30-27(33)21-16-24(32)31(18-21)22-14-8-3-9-15-22/h1-15,21H,16,18H2,(H,30,33)
InChIKeyMDBQULVXILALOA-UHFFFAOYSA-N
XLogP5.48
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108757719
1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108757718
1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108800108
N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 20842923
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
(3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 94081056
(3R)-5-oxo-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 51937891
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7325425
(3R)-N-(3,5-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350735
N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46446482

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 2980638) is N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is N#Cc1c(NC(=O)C2CC(=O)N(c3ccccc3)C2)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is MDBQULVXILALOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O3/c29-17-23-25(19-10-4-1-5-11-19)26(20-12-6-2-7-13-20)34-28(23)30-27(33)21-16-24(32)31(18-21)22-14-8-3-9-15-22/h1-15,21H,16,18H2,(H,30,33).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2980638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).