(3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C20H19F3N2O2 — CID 95062442

IUPAC(3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H19F3N2O2/c1-24(17-10-6-5-9-16(17)14-7-3-2-4-8-14)19(27)15-11-18(26)25(12-15)13-20(21,22)23/h2-10,15H,11-13H2,1H3/t15-/m1/s1
InChIKeyZNOVLISSMGOREQ-OAHLLOKOSA-N
MW376.38 g/mol
LogP3.73
Rot. Bonds4

About (3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

(3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 95062442) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is (3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID95062442
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name(3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H19F3N2O2/c1-24(17-10-6-5-9-16(17)14-7-3-2-4-8-14)19(27)15-11-18(26)25(12-15)13-20(21,22)23/h2-10,15H,11-13H2,1H3/t15-/m1/s1
InChIKeyZNOVLISSMGOREQ-OAHLLOKOSA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 52663130
N-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43576599
2-[2-(dimethylamino)ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 126781440
(3S)-5-oxo-N-(2-phenylpropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130133
(3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 129370499
1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 167906316
(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119367466
N-cyclohexyl-N-ethyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 78859850
N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63939857
N-(2,3-dimethylphenyl)-N-methyl-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55918108
5-oxo-N-[(E)-3-phenylprop-2-enyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 75407299
N-(4-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 115968687

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 95062442) is (3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1-c1ccccc1.
What is the InChIKey of (3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZNOVLISSMGOREQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-24(17-10-6-5-9-16(17)14-7-3-2-4-8-14)19(27)15-11-18(26)25(12-15)13-20(21,22)23/h2-10,15H,11-13H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95062442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).