1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C21H23FN2O2 — CID 113186219

IUPAC1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1N1CC(C(=O)NCCc2ccccc2F)CC1=O
InChIInChI=1S/C21H23FN2O2/c1-14-6-5-7-15(2)20(14)24-13-17(12-19(24)25)21(26)23-11-10-16-8-3-4-9-18(16)22/h3-9,17H,10-13H2,1-2H3,(H,23,26)
InChIKeyQATSTQFINWDODJ-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.15
Rot. Bonds5

About 1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113186219) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113186219
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1N1CC(C(=O)NCCc2ccccc2F)CC1=O
InChIInChI=1S/C21H23FN2O2/c1-14-6-5-7-15(2)20(14)24-13-17(12-19(24)25)21(26)23-11-10-16-8-3-4-9-18(16)22/h3-9,17H,10-13H2,1-2H3,(H,23,26)
InChIKeyQATSTQFINWDODJ-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186220
1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187491
1-(2-fluoro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55606546
N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46558078
N-[2-(2-fluorophenyl)ethyl]-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189825
N,1-bis[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184221
1-(2,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113190969
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
1-(2-ethyl-6-methylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186454
1-(2,6-difluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113192260
1-butan-2-yl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182117
5-oxo-N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186747

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 113186219) is 1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(C)c1N1CC(C(=O)NCCc2ccccc2F)CC1=O.
What is the InChIKey of 1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QATSTQFINWDODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-14-6-5-7-15(2)20(14)24-13-17(12-19(24)25)21(26)23-11-10-16-8-3-4-9-18(16)22/h3-9,17H,10-13H2,1-2H3,(H,23,26).
What are the key properties of 1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113186219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).