1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C21H23FN2O2 — CID 86925371

IUPAC1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(c1ccccc1F)N(C)C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H23FN2O2/c1-15(18-10-6-7-11-19(18)22)23(2)21(26)17-12-20(25)24(14-17)13-16-8-4-3-5-9-16/h3-11,15,17H,12-14H2,1-2H3
InChIKeyWNPQWRURZDKRFZ-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.39
Rot. Bonds5

About 1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 86925371) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID86925371
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(c1ccccc1F)N(C)C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H23FN2O2/c1-15(18-10-6-7-11-19(18)22)23(2)21(26)17-12-20(25)24(14-17)13-16-8-4-3-5-9-16/h3-11,15,17H,12-14H2,1-2H3
InChIKeyWNPQWRURZDKRFZ-UHFFFAOYSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[(2-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183447
N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183539
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
N-methyl-5-oxo-1-(2-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 86920305
(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 93017351
N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183425
(3S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 51729566
1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 18079780
N,1-dibenzyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 75981218
1-[(4-methylphenyl)methyl]-5-oxo-N-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 55921246
(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 31401870
cis-(1R,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124778911

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 86925371) is 1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CC(c1ccccc1F)N(C)C(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WNPQWRURZDKRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-15(18-10-6-7-11-19(18)22)23(2)21(26)17-12-20(25)24(14-17)13-16-8-4-3-5-9-16/h3-11,15,17H,12-14H2,1-2H3.
What are the key properties of 1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86925371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).