(3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide

C20H21F2N2O4P — CID 170650201

IUPAC(3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESCP(C)(=O)c1ccc(N2CC[C@@](O)(C(=O)NCc3cc(F)cc(F)c3)C2=O)cc1
InChIInChI=1S/C20H21F2N2O4P/c1-29(2,28)17-5-3-16(4-6-17)24-8-7-20(27,19(24)26)18(25)23-12-13-9-14(21)11-15(22)10-13/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyXVAOUYTZOYPRJF-HXUWFJFHSA-N
MW422.37 g/mol
LogP2.00
Rot. Bonds5

About (3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide

(3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide (PubChem CID 170650201) has the molecular formula C20H21F2N2O4P and a molecular weight of 422.37 g/mol. Its IUPAC name is (3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide
PubChem CID170650201
Molecular FormulaC20H21F2N2O4P
Molecular Weight422.37 g/mol
Exact Mass422.12
IUPAC Name(3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESCP(C)(=O)c1ccc(N2CC[C@@](O)(C(=O)NCc3cc(F)cc(F)c3)C2=O)cc1
InChIInChI=1S/C20H21F2N2O4P/c1-29(2,28)17-5-3-16(4-6-17)24-8-7-20(27,19(24)26)18(25)23-12-13-9-14(21)11-15(22)10-13/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyXVAOUYTZOYPRJF-HXUWFJFHSA-N
XLogP2.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(4-dicyclohexylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 175974265
(3R)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-1-(1H-indol-5-yl)-2-oxopyrrolidine-3-carboxamide
CID 155461948
(3R)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-1-(1H-indol-6-yl)-2-oxopyrrolidine-3-carboxamide
CID 71815329
N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide
CID 71745053
(3R)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(3,3-difluoro-2-oxo-1H-indol-5-yl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 71815256
(3S)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)pyrrolidine-3-carboxamide
CID 170650182
N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-5-yl)pyrrolidine-3-carboxamide
CID 170650200
5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 154659319
(3S)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 118884373
N-[(3,5-difluorophenyl)methyl]-3-hydroxy-1-[2-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-1H-indol-5-yl]-2-oxopyrrolidine-3-carboxamide
CID 155020282
[5-[3-[(3-chloro-5-fluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-2,3-dihydroindol-1-yl] methyl carbonate
CID 118570472
1-[(5Z)-4H-1,3-benzodioxocin-8-yl]-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 130307900

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide (CID 170650201) is (3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide is CP(C)(=O)c1ccc(N2CC[C@@](O)(C(=O)NCc3cc(F)cc(F)c3)C2=O)cc1.
What is the InChIKey of (3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide?
The InChIKey is XVAOUYTZOYPRJF-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21F2N2O4P/c1-29(2,28)17-5-3-16(4-6-17)24-8-7-20(27,19(24)26)18(25)23-12-13-9-14(21)11-15(22)10-13/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,23,25)/t20-/m1/s1.
What are the key properties of (3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide?
(3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide has a molecular weight of 422.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3,5-difluorophenyl)methyl]-1-(4-dimethylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 170650201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).