1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

C21H22F2N2O2 — CID 113186941

IUPAC1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1N1CC(C(=O)Nc2ccc(F)c(F)c2)CC1=O
InChIInChI=1S/C21H22F2N2O2/c1-3-13-6-5-7-14(4-2)20(13)25-12-15(10-19(25)26)21(27)24-16-8-9-17(22)18(23)11-16/h5-9,11,15H,3-4,10,12H2,1-2H3,(H,24,27)
InChIKeyYVTNQBYROCIMCY-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.08
Rot. Bonds5

About 1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113186941) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113186941
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1N1CC(C(=O)Nc2ccc(F)c(F)c2)CC1=O
InChIInChI=1S/C21H22F2N2O2/c1-3-13-6-5-7-14(4-2)20(13)25-12-15(10-19(25)26)21(27)24-16-8-9-17(22)18(23)11-16/h5-9,11,15H,3-4,10,12H2,1-2H3,(H,24,27)
InChIKeyYVTNQBYROCIMCY-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(3R)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056341
N-(4-acetylphenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186924
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656
N-(4-cyanophenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186937
(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727107
1-[(2-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183678
N-(3,4-difluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188669
1-(2-ethyl-6-methylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186454
(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356
(3S)-N-(2-chlorophenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056331
N-(3,4-difluorophenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183892
(3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056326

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 113186941) is 1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cccc(CC)c1N1CC(C(=O)Nc2ccc(F)c(F)c2)CC1=O.
What is the InChIKey of 1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YVTNQBYROCIMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-3-13-6-5-7-14(4-2)20(13)25-12-15(10-19(25)26)21(27)24-16-8-9-17(22)18(23)11-16/h5-9,11,15H,3-4,10,12H2,1-2H3,(H,24,27).
What are the key properties of 1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113186941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).