(4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one

C16H18F2N2O3 — CID 99779002

IUPAC(4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESC[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H18F2N2O3/c1-9-2-14(21)8-19(9)16(23)10-3-15(22)20(7-10)13-5-11(17)4-12(18)6-13/h4-6,9-10,14,21H,2-3,7-8H2,1H3/t9-,10-,14+/m1/s1
InChIKeyZTVBRJLKGVFTCO-RULNRJAQSA-N
MW324.33 g/mol
LogP1.30
Rot. Bonds2

About (4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 99779002) has the molecular formula C16H18F2N2O3 and a molecular weight of 324.33 g/mol. Its IUPAC name is (4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID99779002
Molecular FormulaC16H18F2N2O3
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name(4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESC[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H18F2N2O3/c1-9-2-14(21)8-19(9)16(23)10-3-15(22)20(7-10)13-5-11(17)4-12(18)6-13/h4-6,9-10,14,21H,2-3,7-8H2,1H3/t9-,10-,14+/m1/s1
InChIKeyZTVBRJLKGVFTCO-RULNRJAQSA-N
XLogP1.30
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 92850355
4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 119216244
1-(3,5-difluorophenyl)-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 119541329
1-(3-chloro-4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17225373
2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide
CID 86827838
4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310611
1-(3,5-difluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120732465
1-(3,5-difluorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 55997845
(4R)-4-[(2S,4S)-4-amino-2-methylpiperidine-1-carbonyl]-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 124692222
1-(3,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 120943708
1-(3,5-difluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168502729
1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 60564340

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 99779002) is (4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one is C[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1.
What is the InChIKey of (4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ZTVBRJLKGVFTCO-RULNRJAQSA-N. The full InChI is InChI=1S/C16H18F2N2O3/c1-9-2-14(21)8-19(9)16(23)10-3-15(22)20(7-10)13-5-11(17)4-12(18)6-13/h4-6,9-10,14,21H,2-3,7-8H2,1H3/t9-,10-,14+/m1/s1.
What are the key properties of (4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 324.33 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 99779002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).