N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C21H21FN2O3 — CID 91460941

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1CN(CCc2ccccc2)C(=O)C1=O
InChIInChI=1S/C21H21FN2O3/c1-23(13-16-7-9-17(22)10-8-16)20(26)18-14-24(21(27)19(18)25)12-11-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3
InChIKeyANBPJRHCUIBICN-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.05
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 91460941) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID91460941
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1CN(CCc2ccccc2)C(=O)C1=O
InChIInChI=1S/C21H21FN2O3/c1-23(13-16-7-9-17(22)10-8-16)20(26)18-14-24(21(27)19(18)25)12-11-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3
InChIKeyANBPJRHCUIBICN-UHFFFAOYSA-N
XLogP2.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 90692035
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
2-[3-[4-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-2,3-dioxopyrrolidin-1-yl]propanoylamino]acetic acid
CID 91310424
(3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 30247534
N-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide
CID 90923086
1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 54698184
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51190222
N-benzyl-1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113185793
N-benzyl-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6619660
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17081645
(4S)-N,1-dimethyl-2-oxo-N-[(4-phenoxyphenyl)methyl]imidazolidine-4-carboxamide
CID 95862292
N-[(3,4-dichlorophenyl)methyl]-1-[4-(methanesulfonamido)-4-oxobutyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 91068498

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 91460941) is N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is CN(Cc1ccc(F)cc1)C(=O)C1CN(CCc2ccccc2)C(=O)C1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is ANBPJRHCUIBICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-23(13-16-7-9-17(22)10-8-16)20(26)18-14-24(21(27)19(18)25)12-11-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91460941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).