(3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide

C21H23FN2O4 — CID 100642673

IUPAC(3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nc3ccc(O)cc3OC(C)C)CC2=O)c(F)c1
InChIInChI=1S/C21H23FN2O4/c1-12(2)28-19-10-15(25)5-6-17(19)23-21(27)14-9-20(26)24(11-14)18-7-4-13(3)8-16(18)22/h4-8,10,12,14,25H,9,11H2,1-3H3,(H,23,27)/t14-/m1/s1
InChIKeyLOEXNKATFURCPH-CQSZACIVSA-N
MW386.42 g/mol
LogP3.62
Rot. Bonds5

About (3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 100642673) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is (3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID100642673
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name(3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nc3ccc(O)cc3OC(C)C)CC2=O)c(F)c1
InChIInChI=1S/C21H23FN2O4/c1-12(2)28-19-10-15(25)5-6-17(19)23-21(27)14-9-20(26)24(11-14)18-7-4-13(3)8-16(18)22/h4-8,10,12,14,25H,9,11H2,1-3H3,(H,23,27)/t14-/m1/s1
InChIKeyLOEXNKATFURCPH-CQSZACIVSA-N
XLogP3.62
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95126966
N-(2,5-dichlorophenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46686200
1-(2-fluoro-4-methylphenyl)-N'-[2-(4-fluorophenoxy)propanoyl]-5-oxopyrrolidine-3-carbohydrazide
CID 46407999
N-(3,5-dimethoxyphenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55604531
1-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 111429196
1-(2-fluoro-4-methylphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 120881868
N-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17152054
N-(4-amino-3,5-dichlorophenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55628688
N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188305
methyl 2,4-difluoro-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 43048586
(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056213
N-(2-acetylphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42957217

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 100642673) is (3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)Nc3ccc(O)cc3OC(C)C)CC2=O)c(F)c1.
What is the InChIKey of (3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LOEXNKATFURCPH-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-12(2)28-19-10-15(25)5-6-17(19)23-21(27)14-9-20(26)24(11-14)18-7-4-13(3)8-16(18)22/h4-8,10,12,14,25H,9,11H2,1-3H3,(H,23,27)/t14-/m1/s1.
What are the key properties of (3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 100642673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).